SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '103'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_B_DCFB853_2
(ADENOSINE DEAMINASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 5 HIS A 383
LEU A 274
LEU A 499
GLY A 391
 ZN  A1035 (-3.2A)
None
None
None
 1.13A 1a4lB-6bv2A:
undetectable		 1a4lB-6bv2A:
13.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.40A 1a52A-5n4lA:
undetectable		 1a52A-5n4lA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A52_B_ESTB2_1
(ESTROGEN RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.40A 1a52B-5n4lA:
undetectable		 1a52B-5n4lA:
14.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E71_M_ASCM995_0
(MYROSINASE MA1)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 ILE A 430
TYR A 411
PHE A 408
PHE A 491
 None
SO4  A1030 (-4.6A)
None
None
 1.21A 1e71M-6bv2A:
undetectable		 1e71M-6bv2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E72_M_ASCM995_0
(MYROSINASE MA1)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 ILE A 430
TYR A 411
PHE A 408
PHE A 491
 None
SO4  A1030 (-4.6A)
None
None
 1.22A 1e72M-6bv2A:
undetectable		 1e72M-6bv2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FMO_E_ADNE351_1
(CAMP-DEPENDENT
PROTEIN KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
GLY A 681
VAL A 689
ALA A 700
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.6A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.75A 1fmoE-3lj0A:
23.6		 1fmoE-3lj0A:
23.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H7X_A_URFA1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		6 / 6 ASN A 609
ILE A 613
ASN A 668
SER A 670
ASN A 736
THR A 737
 FMN  A1030 (-3.7A)
None
FMN  A1030 (-4.0A)
None
FMN  A1030 (-3.6A)
FMN  A1030 ( 4.4A)
 0.20A 1h7xA-1h7wA:
59.2		 1h7xA-1h7wA:
99.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H7X_B_URFB1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		6 / 6 ASN A 609
ILE A 613
ASN A 668
SER A 670
ASN A 736
THR A 737
 FMN  A1030 (-3.7A)
None
FMN  A1030 (-4.0A)
None
FMN  A1030 (-3.6A)
FMN  A1030 ( 4.4A)
 0.23A 1h7xB-1h7wA:
60.4		 1h7xB-1h7wA:
99.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H7X_C_URFC1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		6 / 6 ASN A 609
ILE A 613
ASN A 668
SER A 670
ASN A 736
THR A 737
 FMN  A1030 (-3.7A)
None
FMN  A1030 (-4.0A)
None
FMN  A1030 (-3.6A)
FMN  A1030 ( 4.4A)
 0.22A 1h7xC-1h7wA:
58.2		 1h7xC-1h7wA:
99.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1H7X_D_URFD1033_1
(DIHYDROPYRIMIDINE
DEHYDROGENASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		6 / 6 ASN A 609
ILE A 613
ASN A 668
SER A 670
ASN A 736
THR A 737
 FMN  A1030 (-3.7A)
None
FMN  A1030 (-4.0A)
None
FMN  A1030 (-3.6A)
FMN  A1030 ( 4.4A)
 0.23A 1h7xD-1h7wA:
58.5		 1h7xD-1h7wA:
99.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 1.04A 1ictB-4w65A:
undetectable		 1ictB-4w65A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_A_LPRA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.78A 1j36A-6bv2A:
6.8		 1j36A-6bv2A:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J36_B_LPRB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.79A 1j36B-6bv2A:
2.7		 1j36B-6bv2A:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_A_X8ZA801_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.77A 1j37A-6bv2A:
2.0		 1j37A-6bv2A:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1J37_B_X8ZB802_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.77A 1j37B-6bv2A:
6.8		 1j37B-6bv2A:
8.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG3_A_ADNA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		5 / 11 GLY A 468
ILE A 541
LEU A 474
GLY A 382
LEU A 428
 None
None
None
None
ADP  A1103 (-4.0A)
 0.94A 1jg3A-5b7iA:
undetectable		 1jg3A-5b7iA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG3_B_ADNB550_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		5 / 11 GLY A 468
ILE A 541
LEU A 474
GLY A 382
LEU A 428
 None
None
None
None
ADP  A1103 (-4.0A)
 0.94A 1jg3B-5b7iA:
undetectable		 1jg3B-5b7iA:
12.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JGL_L_ESTL911_1
(IG GAMMA-1-CHAIN
IG KAPPA-CHAIN)		 3bgu FERREDOXIN-LIKE
PROTEIN OF UNKNOWN
FUNCTION
(Thermobifida
fusca) 		5 / 10 ALA A  59
TYR A  70
LEU A  37
TYR A  40
HIS A   5
 EDO  A 103 ( 4.6A)
EDO  A 103 ( 4.4A)
None
EDO  A 103 (-3.8A)
EDO  A 102 ( 3.6A)
 1.33A 1jglH-3bguA:
undetectable
1jglL-3bguA:
undetectable		 1jglH-3bguA:
17.57
1jglL-3bguA:
17.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1K2T_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 1k2tA-5bs1A:
undetectable
1k2tB-5bs1A:
undetectable		 1k2tA-5bs1A:
14.56
1k2tB-5bs1A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		 6cty DIHYDROOROTASE
(Yersinia
pestis) 		4 / 7 LEU A 162
LEU A 104
TYR A 124
LEU A 172
 None
KCX  A 103 ( 4.5A)
None
None
 1.10A 1kt3A-6ctyA:
undetectable		 1kt3A-6ctyA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M00_B_H4BB1760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 1m00A-5bs1A:
undetectable
1m00B-5bs1A:
undetectable		 1m00A-5bs1A:
14.56
1m00B-5bs1A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 5wou PROTEIN LAP4
(Drosophila
melanogaster) 		4 / 4 HIS A  71
ALA A  21
PHE A  37
GLY A  23
 EDO  A 105 (-4.1A)
None
None
EDO  A 103 (-3.7A)
 1.21A 1mj2B-5wouA:
undetectable		 1mj2B-5wouA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 5wou PROTEIN LAP4
(Drosophila
melanogaster) 		4 / 4 HIS A  71
ALA A  21
PHE A  37
GLY A  23
 EDO  A 105 (-4.1A)
None
None
EDO  A 103 (-3.7A)
 1.21A 1mj2D-5wouA:
undetectable		 1mj2D-5wouA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 5wou PROTEIN LAP4
(Drosophila
melanogaster) 		4 / 4 HIS A  71
ALA A  21
PHE A  37
GLY A  23
 EDO  A 105 (-4.1A)
None
None
EDO  A 103 (-3.7A)
 1.20A 1mjoB-5wouA:
undetectable		 1mjoB-5wouA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 5wou PROTEIN LAP4
(Drosophila
melanogaster) 		4 / 4 HIS A  71
ALA A  21
PHE A  37
GLY A  23
 EDO  A 105 (-4.1A)
None
None
EDO  A 103 (-3.7A)
 1.22A 1mjoA-5wouA:
undetectable		 1mjoA-5wouA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 5wou PROTEIN LAP4
(Drosophila
melanogaster) 		4 / 4 HIS A  71
ALA A  21
PHE A  37
GLY A  23
 EDO  A 105 (-4.1A)
None
None
EDO  A 103 (-3.7A)
 1.21A 1mjoD-5wouA:
undetectable		 1mjoD-5wouA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMV_A_H4BA1760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1mmvA-5bs1A:
undetectable
1mmvB-5bs1A:
undetectable		 1mmvA-5bs1A:
14.56
1mmvB-5bs1A:
14.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MMV_B_H4BB2760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 1mmvA-5bs1A:
undetectable
1mmvB-5bs1A:
undetectable		 1mmvA-5bs1A:
14.56
1mmvB-5bs1A:
14.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MOG_A_RBFA200_1
(DODECIN)		 4b2h DODECIN
(Halobacterium
salinarum) 		3 / 3 PHE A   3
TRP A  36
GLU A  38
 C3F  A 103 (-4.6A)
C3F  A 103 (-3.3A)
NA  A 101 ( 4.0A)
 0.08A 1mogA-4b2hA:
13.5		 1mogA-4b2hA:
95.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1O86_A_LPRA702_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.76A 1o86A-6bv2A:
6.7		 1o86A-6bv2A:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE1_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.40A 1oe1A-2bz7A:
undetectable		 1oe1A-2bz7A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE2_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		5 / 5 HIS A  37
CYH A  87
PRO A  89
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 ( 4.5A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.70A 1oe2A-2bz7A:
6.8		 1oe2A-2bz7A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OE3_A_CUA501_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.42A 1oe3A-2bz7A:
3.9		 1oe3A-2bz7A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OM4_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1om4A-5bs1A:
undetectable
1om4B-5bs1A:
undetectable		 1om4A-5bs1A:
14.45
1om4B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OM4_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 1om4A-5bs1A:
undetectable
1om4B-5bs1A:
undetectable		 1om4A-5bs1A:
14.45
1om4B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OM5_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 1om5A-5bs1A:
undetectable
1om5B-5bs1A:
undetectable		 1om5A-5bs1A:
14.49
1om5B-5bs1A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6J_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 1p6jA-5bs1A:
undetectable
1p6jB-5bs1A:
undetectable		 1p6jA-5bs1A:
14.49
1p6jB-5bs1A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1P6K_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 1p6kA-5bs1A:
undetectable
1p6kB-5bs1A:
undetectable		 1p6kA-5bs1A:
14.49
1p6kB-5bs1A:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.34A 1pcgA-5n4lA:
undetectable		 1pcgA-5n4lA:
17.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_E_FUAE706_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		4 / 4 ALA A 414
VAL A 560
ALA A 415
HIS A 355
 BCR  A6007 ( 3.8A)
None
None
CLA  A1103 (-3.6A)
 1.23A 1q23F-4rkuA:
undetectable		 1q23F-4rkuA:
16.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKU_A_ESTA600_1
(ESTRADIOL RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.32A 1qkuA-5n4lA:
undetectable		 1qkuA-5n4lA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKU_B_ESTB600_1
(ESTRADIOL RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.32A 1qkuB-5n4lA:
undetectable		 1qkuB-5n4lA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKU_C_ESTC600_1
(ESTRADIOL RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.31A 1qkuC-5n4lA:
undetectable		 1qkuC-5n4lA:
13.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QU3_A_MRCA993_1
(ISOLEUCYL-TRNA
SYNTHETASE)		 5h1u TRANSCRIPTION
INTERMEDIARY FACTOR
1-ALPHA
(Homo
sapiens) 		5 / 12 GLY B 835
HIS B 849
ASN B 834
SER B 921
GLN B 833
 None
ZN  B1103 (-3.2A)
None
None
None
 1.50A 1qu3A-5h1uB:
undetectable		 1qu3A-5h1uB:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 GLU A 322
ASN A 320
TRP A 272
 MAN  A1029 (-3.5A)
MAN  A1031 (-3.9A)
None
 1.27A 1r15C-3ogrA:
undetectable		 1r15C-3ogrA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 GLU A 322
ASN A 320
TRP A 272
 MAN  A1029 (-3.5A)
MAN  A1031 (-3.9A)
None
 1.26A 1r15D-3ogrA:
undetectable		 1r15D-3ogrA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 GLU A 322
ASN A 320
TRP A 272
 MAN  A1029 (-3.5A)
MAN  A1031 (-3.9A)
None
 1.26A 1r15E-3ogrA:
1.8		 1r15E-3ogrA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		3 / 3 GLU A 322
ASN A 320
TRP A 272
 MAN  A1029 (-3.5A)
MAN  A1031 (-3.9A)
None
 1.22A 1r15F-3ogrA:
undetectable		 1r15F-3ogrA:
13.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQF_A_SAMA430_0
(SUN PROTEIN)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		5 / 12 ALA A 303
GLY A 302
GLY A 301
ASP A 265
GLY A 357
 None
None
None
MAN  A1039 ( 2.9A)
None
 1.03A 1sqfA-3ogrA:
undetectable		 1sqfA-3ogrA:
17.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
LEU A 719
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.96A 1t46A-3lj0A:
22.2		 1t46A-3lj0A:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 1tlsA-2nvuB:
undetectable		 1tlsA-2nvuB:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_B_C2FB266_0
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 1tlsB-2nvuB:
undetectable		 1tlsB-2nvuB:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 1tsnA-2nvuB:
undetectable		 1tsnA-2nvuB:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 0.98A 1tz8C-4w65A:
undetectable
1tz8D-4w65A:
undetectable		 1tz8C-4w65A:
20.22
1tz8D-4w65A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V2X_A_SAMA400_0
(TRNA (GM18)
METHYLTRANSFERASE)		 2ywy NEW ANTIGEN RECEPTOR
VARIABLE DOMAIN
(Orectolobus
maculatus) 		5 / 12 GLY A 105
GLY A 103
LYS A  48
ILE A  49
LEU A  68
 GLY  A 105 ( 0.0A)
GLY  A 103 ( 0.0A)
LYS  A  48 ( 0.0A)
ILE  A  49 ( 0.7A)
LEU  A  68 ( 0.6A)
 0.93A 1v2xA-2ywyA:
undetectable		 1v2xA-2ywyA:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_A_CRNA401_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.84A 1v7zA-5kdjB:
undetectable		 1v7zA-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_B_CRNB3401_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.85A 1v7zB-5kdjB:
undetectable		 1v7zB-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V7Z_C_CRNC4401_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.85A 1v7zC-5kdjB:
undetectable		 1v7zC-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W5U_D_DVAD6_0
(GRAMICIDIN D)		 3a0h PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 TRP D  48
TRP D 111
ALA D 177
VAL D  78
 PHO  D1039 ( 3.5A)
None
None
None
 1.50A 1w5uC-3a0hD:
undetectable
1w5uD-3a0hD:
undetectable		 1w5uC-3a0hD:
4.00
1w5uD-3a0hD:
4.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		12 / 12 MET A  56
THR A  87
LEU A  88
ILE A 103
VAL A 115
ASN A 117
PHE A 176
MET A 177
TYR A 197
ARG A 233
LEU A 242
TRP A 262
 MET  A  56 (-0.0A)
THR  A  87 ( 0.8A)
LEU  A  88 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
PHE  A 176 (-1.3A)
MET  A 177 (-0.0A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
LEU  A 242 (-0.6A)
TRP  A 262 ( 0.5A)
 0.02A 1wsvA-1wsvA:
66.6		 1wsvA-1wsvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		11 / 12 MET A  56
THR A  87
LEU A  88
ILE A 103
VAL A 115
ASN A 117
PHE A 176
MET A 177
TYR A 197
LEU A 242
TRP A 262
 MET  A  56 (-0.0A)
THR  A  87 ( 0.8A)
LEU  A  88 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
PHE  A 176 (-1.3A)
MET  A 177 (-0.0A)
TYR  A 197 (-1.3A)
LEU  A 242 (-0.6A)
TRP  A 262 ( 0.5A)
 0.19A 1wsvB-1wsvA:
62.3		 1wsvB-1wsvA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1X7P_B_SAMB302_0
(RRNA
METHYLTRANSFERASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 10 ARG B2151
ASP B2079
GLY B2060
GLY B2057
ILE B2127
 None
ATP  B 103 (-2.8A)
None
ATP  B 103 (-4.9A)
ATP  B 103 (-3.9A)
 0.95A 1x7pA-2nvuB:
3.8
1x7pB-2nvuB:
2.6		 1x7pA-2nvuB:
16.50
1x7pB-2nvuB:
16.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y4L_B_SVRB301_2
(PHOSPHOLIPASE A2
HOMOLOG 2)		 5ouo PERFORIN-LIKE
PROTEIN 1
(Toxoplasma
gondii) 		5 / 11 LEU A 987
VAL A 931
GLY A 937
ARG A1060
HIS A 990
 None
None
None
CL  A1103 (-3.6A)
None
 1.33A 1y4lB-5ouoA:
undetectable		 1y4lB-5ouoA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YVM_A_TMGA501_1
(METHIONINE
AMINOPEPTIDASE)		 3vk6 E3 UBIQUITIN-PROTEIN
LIGASE HAKAI
(Mus
musculus) 		4 / 7 CYH A  25
TYR A  14
CYH A   7
HIS A   2
 ZN  A 103 (-2.3A)
None
ZN  A 103 (-2.3A)
None
 1.43A 1yvmA-3vk6A:
undetectable		 1yvmA-3vk6A:
17.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		4 / 5 PRO A 329
GLY A 105
ASN A 335
GLY A 103
 PRO  A 329 ( 1.1A)
GLY  A 105 ( 0.0A)
ASN  A 335 ( 0.6A)
GLY  A 103 ( 0.0A)
 1.16A 1zlqA-4mwtA:
undetectable		 1zlqA-4mwtA:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZQ_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 1zzqA-5bs1A:
undetectable
1zzqB-5bs1A:
undetectable		 1zzqA-5bs1A:
14.52
1zzqB-5bs1A:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZZU_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 1zzuA-5bs1A:
undetectable
1zzuB-5bs1A:
undetectable		 1zzuA-5bs1A:
14.52
1zzuB-5bs1A:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BM9_F_SAMF301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 3g6e 50S RIBOSOMAL
PROTEIN L13P
(Haloarcula
marismortui) 		5 / 12 GLY J  77
LEU J 132
GLY J  20
ALA J  23
ALA J  27
 None
None
A  01242 ( 3.1A)
None
C  01103 ( 3.3A)
 0.94A 2bm9F-3g6eJ:
undetectable		 2bm9F-3g6eJ:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)		 6c0w HISTONE H3-LIKE
CENTROMERIC PROTEIN
A
HISTONE H4
(Homo
sapiens) 		5 / 12 LEU B  58
ALA B  33
LEU A  61
LEU A 102
VAL A 103
 LEU  B  58 ( 0.6A)
ALA  B  33 ( 0.0A)
LEU  A  61 ( 0.6A)
LEU  A 102 ( 0.6A)
VAL  A 103 ( 0.6A)
 1.05A 2c12C-6c0wB:
undetectable		 2c12C-6c0wB:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		6 / 12 ALA A 348
HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 SO4  A1027 (-4.3A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.71A 2c6nA-6bv2A:
4.7		 2c6nA-6bv2A:
9.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C6N_B_LPRB705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.74A 2c6nB-6bv2A:
5.4		 2c6nB-6bv2A:
9.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CC8_A_RBFA1067_1
(VNG1446H)		 4b2h DODECIN
(Halobacterium
salinarum) 		3 / 3 PHE A   3
VAL A  35
TRP A  36
 C3F  A 103 (-4.6A)
C3F  A 103 (-4.1A)
C3F  A 103 (-3.3A)
 0.31A 2cc8A-4b2hA:
13.9		 2cc8A-4b2hA:
95.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2CCB_A_RBFA1067_1
(VNG1446H)		 4b2h DODECIN
(Halobacterium
salinarum) 		3 / 3 PHE A   3
VAL A  35
TRP A  36
 C3F  A 103 (-4.6A)
C3F  A 103 (-4.1A)
C3F  A 103 (-3.3A)
 0.31A 2ccbA-4b2hA:
13.9		 2ccbA-4b2hA:
95.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 7 HIS A  88
ASN A  91
ASP A  92
GLY A 339
 None
None
SWA  A1103 ( 2.4A)
None
 0.82A 2f6dA-1hwwA:
0.3		 2f6dA-1hwwA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		4 / 7 ARG A 466
ASP A 783
THR A 422
GLY A 423
 ADP  A1103 (-4.1A)
None
ADP  A1103 (-4.0A)
ADP  A1103 (-3.1A)
 0.85A 2f6dA-5b7iA:
undetectable		 2f6dA-5b7iA:
18.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8L_A_SAMA400_0
(HYPOTHETICAL PROTEIN
LMO1582)		 2nql ISOMERASE/LACTONIZIN
G ENZYME
(Agrobacterium
fabrum) 		5 / 12 ALA A 306
GLY A 309
VAL A 312
ASP A 311
GLY A 302
 GOL  A1103 ( 4.0A)
None
None
None
GOL  A1103 (-4.4A)
 1.06A 2f8lA-2nqlA:
undetectable		 2f8lA-2nqlA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQD_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.32A 2fqdA-2bz7A:
undetectable		 2fqdA-2bz7A:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQE_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.31A 2fqeA-2bz7A:
undetectable		 2fqeA-2bz7A:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQF_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.29A 2fqfA-2bz7A:
undetectable		 2fqfA-2bz7A:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FQG_A_CUA601_0
(BLUE COPPER OXIDASE
CUEO)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.29A 2fqgA-2bz7A:
undetectable		 2fqgA-2bz7A:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HTQ_A_ZMRA472_1
(NEURAMINIDASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 GLU A 383
ARG A 235
ARG A 353
GLU A 382
ALA A 372
 None
FAD  A1031 (-2.8A)
None
None
None
 1.45A 2htqA-1h7wA:
undetectable		 2htqA-1h7wA:
17.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		3 / 3 ASP A 204
ASP A 169
ASP A 409
 SWA  A1103 ( 3.0A)
None
None
 0.70A 2igtA-1hwwA:
undetectable		 2igtA-1hwwA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		3 / 3 ASP A 204
ASP A 169
ASP A 409
 SWA  A1103 ( 3.0A)
None
None
 0.74A 2igtB-1hwwA:
undetectable		 2igtB-1hwwA:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITZ_A_IREA2021_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ASP A 754
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 ( 4.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.95A 2itzA-3lj0A:
23.4		 2itzA-3lj0A:
26.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IZQ_C_DVAC6_0
(GRAMICIDIN D)		 3a0h PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 ALA D 177
VAL D  78
TRP D  48
TRP D 111
 None
None
PHO  D1039 ( 3.5A)
None
 1.48A 2izqC-3a0hD:
undetectable
2izqD-3a0hD:
undetectable		 2izqC-3a0hD:
4.00
2izqD-3a0hD:
4.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_F_SC2F1291_1
(FICOLIN-2)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		4 / 6 LEU A  93
SER A 106
ASP A 498
ASP A 103
 LEU  A  93 ( 0.6A)
SER  A 106 ( 0.0A)
ASP  A 498 ( 0.6A)
ASP  A 103 ( 0.6A)
 1.15A 2j2pE-4g9kA:
undetectable
2j2pF-4g9kA:
undetectable		 2j2pE-4g9kA:
17.78
2j2pF-4g9kA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJ8_D_AZZD1211_1
(DEOXYNUCLEOSIDE
KINASE)		 4xnv P2Y PURINOCEPTOR 1,
RUBREDOXIN, P2Y
PURINOCEPTOR 1
(Clostridium
pasteurianum;
Homo
sapiens) 		5 / 10 PHE A 298
VAL A 302
ARG A 285
ALA A 286
PHE A 290
 Y01  A1103 ( 4.9A)
Y01  A1103 ( 4.3A)
OLC  A1112 (-4.8A)
None
OLC  A1106 ( 4.9A)
 1.04A 2jj8D-4xnvA:
undetectable		 2jj8D-4xnvA:
16.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KOT_A_ANWA99_0
(PROTEIN S100-A13)		 5d7w SERRALYSIN
(Serratia
marcescens) 		4 / 7 THR A 103
PHE A 104
THR A 105
LYS A  90
 THR  A 103 ( 0.8A)
PHE  A 104 ( 1.3A)
THR  A 105 ( 0.8A)
LYS  A  90 ( 0.0A)
 1.02A 2kotA-5d7wA:
undetectable		 2kotA-5d7wA:
11.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4K_A_DR7A301_1
(PROTEASE)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		5 / 12 LEU A 111
ASP A 341
GLY A 339
ILE A 127
ILE A 110
 None
SWA  A1103 (-3.4A)
None
None
None
 0.94A 2o4kA-1hwwA:
undetectable		 2o4kA-1hwwA:
6.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4N_A_TPVA300_2
(PROTEASE)		 1cul TYPE II ADENYLYL
CYCLASE
(Rattus
norvegicus) 		5 / 8 LEU B 979
ILE B 918
GLY B 941
ILE B 940
LEU B 996
 None
None
None
103  B1082 (-4.9A)
None
 1.13A 2o4nB-1culB:
0.0		 2o4nB-1culB:
18.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_1
(ESTROGEN RECEPTOR)		 5xxu RIBOSOMAL PROTEIN
ES21
RIBOSOMAL PROTEIN
US8
(Toxoplasma
gondii;
Toxoplasma
gondii) 		4 / 6 ALA V  66
ASP V  65
GLU V  63
ARG W  22
 None
None
None
A  21036 ( 4.0A)
 1.16A 2ouzA-5xxuV:
undetectable		 2ouzA-5xxuV:
18.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		 5gru DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 9 ILE L 217
ASP H 117
GLY H  99
TYR L 176
THR H 103
 ILE  L 217 ( 0.7A)
ASP  H 117 ( 0.6A)
GLY  H  99 ( 0.0A)
TYR  L 176 ( 1.3A)
THR  H 103 ( 0.8A)
 1.47A 2tsrD-5gruL:
undetectable		 2tsrD-5gruL:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 11 ALA A 198
SER A 199
GLY A 284
ILE A 482
VAL A 464
 FAD  A1031 (-3.4A)
None
FAD  A1031 (-3.6A)
None
None
 1.27A 2uxpB-1h7wA:
0.0		 2uxpB-1h7wA:
11.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0M_A_KLNA1501_1
(CYTOCHROME P450 3A4)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		5 / 10 ASP A 880
SER A 624
LEU A 885
THR A 884
GLY A 868
 None
BCO  A1103 (-3.4A)
None
None
5AD  A1102 ( 3.5A)
 1.33A 2v0mA-5cjuA:
undetectable		 2v0mA-5cjuA:
18.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_C_C41C1328_1
(RENIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 VAL A 765
GLY A 794
VAL A 738
GLY A 767
SER A 605
 None
FMN  A1030 (-3.5A)
None
FMN  A1030 (-3.5A)
None
 0.91A 2v0zC-1h7wA:
undetectable		 2v0zC-1h7wA:
15.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 8 ASP A 943
PHE A 935
SER A 966
ARG A 967
 None
None
SO4  A1103 (-2.8A)
SO4  A1103 (-3.7A)
 1.13A 2v7uA-4dqkA:
2.2		 2v7uA-4dqkA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V7U_B_SAMB1299_1
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 ASP A 943
PHE A 935
SER A 966
ARG A 967
 None
None
SO4  A1103 (-2.8A)
SO4  A1103 (-3.7A)
 1.13A 2v7uB-4dqkA:
3.2		 2v7uB-4dqkA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_A_ASDA1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 2g9f PEPTIDE N-GLYCANASE
(Mus
musculus) 		5 / 8 ILE A 511
GLY A 517
LEU A 477
PHE A 478
PHE A 490
 None
None
None
GOL  A 103 ( 4.7A)
None
 1.42A 2vctA-2g9fA:
undetectable		 2vctA-2g9fA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_B_ASDB1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 2g9f PEPTIDE N-GLYCANASE
(Mus
musculus) 		5 / 8 ILE A 511
GLY A 517
LEU A 477
PHE A 478
PHE A 490
 None
None
None
GOL  A 103 ( 4.7A)
None
 1.41A 2vctB-2g9fA:
undetectable		 2vctB-2g9fA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		 2g9f PEPTIDE N-GLYCANASE
(Mus
musculus) 		5 / 7 ILE A 511
GLY A 517
LEU A 477
PHE A 478
PHE A 490
 None
None
None
GOL  A 103 ( 4.7A)
None
 1.40A 2vctD-2g9fA:
undetectable		 2vctD-2g9fA:
23.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VUF_A_FUAA2002_1
(SERUM ALBUMIN)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 9 PHE A 408
ALA A 409
VAL A 412
GLU A 413
 None
ZN  A1035 ( 4.0A)
None
None
 0.68A 2vufA-6bv2A:
undetectable		 2vufA-6bv2A:
9.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VX9_A_RBFA1064_1
(DODECIN)		 4b2h DODECIN
(Halobacterium
salinarum) 		3 / 3 PHE A   3
VAL A  35
TRP A  36
 C3F  A 103 (-4.6A)
C3F  A 103 (-4.1A)
C3F  A 103 (-3.3A)
 0.30A 2vx9A-4b2hA:
13.5		 2vx9A-4b2hA:
96.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_A_SAMA1248_0
(NON-STRUCTURAL
PROTEIN 5)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 GLY A 496
GLY A 194
GLY A 196
SER A 201
ILE A 283
 None
FAD  A1031 (-3.1A)
FAD  A1031 (-3.4A)
None
FAD  A1031 (-3.7A)
 0.78A 2wa2A-1h7wA:
3.5		 2wa2A-1h7wA:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 8 ILE A 797
GLY A 801
GLY A 750
GLN A 748
 None
None
CD  A1103 ( 4.8A)
None
 0.77A 2wd9B-4iugA:
2.1		 2wd9B-4iugA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 8 GLY A 741
HIS A 780
ASN A 798
ALA A 784
 None
BCO  A1103 ( 3.8A)
None
B12  A1101 (-3.7A)
 0.83A 2x0pA-5cjuA:
undetectable		 2x0pA-5cjuA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X8Z_A_X8ZA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.69A 2x8zA-6bv2A:
2.8		 2x8zA-6bv2A:
8.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X91_A_LPRA1615_1
(ANGIOTENSIN
CONVERTING ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.72A 2x91A-6bv2A:
2.2		 2x91A-6bv2A:
8.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XP2_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.42A 2xp2A-3lj0A:
7.5		 2xp2A-3lj0A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_A_CUA1337_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.38A 2xxgA-2bz7A:
6.5		 2xxgA-2bz7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XXG_C_CUC1338_0
(DISSIMILATORY
COPPER-CONTAINING
NITRITE REDUCTASE)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		5 / 5 HIS A  37
CYH A  87
PRO A  89
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 ( 4.5A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.75A 2xxgC-2bz7A:
6.6		 2xxgC-2bz7A:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		 2dj6 HYPOTHETICAL PROTEIN
PH0634
(Pyrococcus
horikoshii) 		4 / 8 LEU A  63
VAL A 101
LEU A 103
VAL A  35
 LEU  A  63 ( 0.5A)
VAL  A 101 ( 0.6A)
LEU  A 103 ( 0.6A)
VAL  A  35 ( 0.6A)
 0.87A 2zujA-2dj6A:
undetectable		 2zujA-2dj6A:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 THR A 198
MET A  56
ILE A  63
LEU A 105
ILE A 103
 THR  A 198 ( 0.8A)
MET  A  56 ( 0.0A)
ILE  A  63 ( 0.7A)
LEU  A 105 (-0.5A)
ILE  A 103 ( 0.7A)
 1.29A 3a50B-3ulkA:
undetectable		 3a50B-3ulkA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 THR A 198
MET A  56
ILE A  63
LEU A 105
ILE A 103
 THR  A 198 ( 0.8A)
MET  A  56 ( 0.0A)
ILE  A  63 ( 0.7A)
LEU  A 105 (-0.5A)
ILE  A 103 ( 0.7A)
 1.31A 3a50C-3ulkA:
undetectable		 3a50C-3ulkA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_A_CRNA303_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.85A 3a6jA-5kdjB:
undetectable		 3a6jA-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 7 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.83A 3a6jB-5kdjB:
undetectable		 3a6jB-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_B_CRNB304_1
(CREATININE
AMIDOHYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 GLU A 406
HIS A 383
HIS A 387
GLU A 384
 ZN  A1035 ( 2.2A)
ZN  A1035 (-3.2A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
 0.82A 3a6jB-6bv2A:
undetectable		 3a6jB-6bv2A:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.82A 3a6jC-5kdjB:
undetectable		 3a6jC-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_C_CRNC305_1
(CREATININE
AMIDOHYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 8 GLU A 406
HIS A 383
HIS A 387
GLU A 384
 ZN  A1035 ( 2.2A)
ZN  A1035 (-3.2A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
 0.82A 3a6jC-6bv2A:
undetectable		 3a6jC-6bv2A:
12.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_E_CRNE306_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.86A 3a6jE-5kdjB:
undetectable		 3a6jE-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		4 / 8 GLU B 771
HIS B 756
HIS B 760
GLU B 757
 ZN  B1103 (-2.5A)
ZN  B1103 (-3.3A)
ZN  B1103 (-3.4A)
ZN  B1103 ( 4.3A)
 0.82A 3a6jF-5kdjB:
undetectable		 3a6jF-5kdjB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A6J_F_CRNF307_1
(CREATININE
AMIDOHYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 8 GLU A 406
HIS A 383
HIS A 387
GLU A 384
 ZN  A1035 ( 2.2A)
ZN  A1035 (-3.2A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
 0.83A 3a6jF-6bv2A:
undetectable		 3a6jF-6bv2A:
12.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_A_C2FA401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
 0.28A 3a8iA-1wsvA:
46.8		 3a8iA-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_B_C2FB401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.32A 3a8iB-1wsvA:
46.2		 3a8iB-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_C_C2FC401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		7 / 12 MET A  56
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.44A 3a8iC-1wsvA:
46.4		 3a8iC-1wsvA:
33.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3A8I_D_C2FD401_0
(AMINOMETHYLTRANSFERA
SE)		 1wsv AMINOMETHYLTRANSFERA
SE
(Homo
sapiens) 		8 / 12 MET A  56
ASP A 101
ILE A 103
VAL A 115
ASN A 117
TYR A 197
ARG A 233
TRP A 262
 MET  A  56 (-0.0A)
ASP  A 101 (-0.6A)
ILE  A 103 (-0.7A)
VAL  A 115 (-0.6A)
ASN  A 117 (-0.6A)
TYR  A 197 (-1.3A)
ARG  A 233 (-0.6A)
TRP  A 262 ( 0.5A)
 0.39A 3a8iD-1wsvA:
46.3		 3a8iD-1wsvA:
33.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3N_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3b3nA-5bs1A:
undetectable
3b3nB-5bs1A:
undetectable		 3b3nA-5bs1A:
14.45
3b3nB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3O_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3b3oA-5bs1A:
undetectable
3b3oB-5bs1A:
undetectable		 3b3oA-5bs1A:
14.45
3b3oB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B3P_B_H4BB760_1
(NITRIC-OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 8 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3b3pA-5bs1A:
undetectable
3b3pB-5bs1A:
undetectable		 3b3pA-5bs1A:
14.45
3b3pB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		7 / 12 VAL A  39
ALA A  52
LEU A 103
GLY A 111
LEU A 160
ASP A 171
PHE A 172
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LEU  A 103 ( 0.6A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
PHE  A 172 ( 1.3A)
 0.76A 3bbtD-5d7aA:
24.7		 3bbtD-5d7aA:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 5um6 UBIQUITIN-ACTIVATING
ENZYME E1 1
(Schizosaccharomy
ces
pombe) 		5 / 12 LEU A 952
VAL A 949
GLY A 948
THR A 978
ILE A 977
 None
None
8E7  A1103 ( 4.4A)
None
None
 1.20A 3bf1A-5um6A:
2.4
3bf1B-5um6A:
undetectable		 3bf1A-5um6A:
13.92
3bf1B-5um6A:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BJW_G_SVRG506_3
(PHOSPHOLIPASE A2)		 1fgv H52 FV (LIGHT CHAIN)
(Homo
sapiens) 		3 / 3 PRO L   8
PHE L  83
LYS L 103
 PRO  L   8 ( 1.0A)
PHE  L  83 ( 1.3A)
LYS  L 103 ( 0.0A)
 1.25A 3bjwG-1fgvL:
0.0		 3bjwG-1fgvL:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 ALA A 486
GLY A 284
THR A 228
VAL A 241
ILE A 200
 None
FAD  A1031 (-3.6A)
None
None
None
 1.02A 3c6gA-1h7wA:
undetectable		 3c6gA-1h7wA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 PHE A 805
ALA A 549
ALA A 734
VAL A 778
VAL A 826
 None
FMN  A1030 (-3.3A)
None
None
None
 1.14A 3c6gB-1h7wA:
0.0		 3c6gB-1h7wA:
18.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CJT_C_SAMC302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 GLY B2055
LEU B2063
ASP B2079
ASP B2081
LEU B2145
 ATP  B 103 ( 4.1A)
None
ATP  B 103 (-2.8A)
ATP  B 103 (-3.8A)
ATP  B 103 ( 4.9A)
 1.00A 3cjtC-2nvuB:
5.5		 3cjtC-2nvuB:
15.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 PHE A 805
ALA A 549
ALA A 734
VAL A 778
VAL A 826
 None
FMN  A1030 (-3.3A)
None
None
None
 1.14A 3czhB-1h7wA:
0.0		 3czhB-1h7wA:
18.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		4 / 6 ILE A 796
THR A 733
LYS A 709
PHE A 570
 None
None
FMN  A1030 (-2.6A)
None
 1.00A 3elzB-1h7wA:
0.0		 3elzB-1h7wA:
10.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_A_CHDA153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 5 ILE A 776
THR A 730
PHE A 771
PHE A 763
 None
BCO  A1103 (-3.2A)
None
None
 1.28A 3em0A-5cjuA:
undetectable		 3em0A-5cjuA:
8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G89_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 5v4q GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 LIGHT
CHAIN
(Homo
sapiens) 		6 / 12 GLY B 473
ALA B 480
THR B 481
ARG B 503
GLU B 516
ALA B 382
 8WY  B1102 (-3.7A)
None
None
None
None
CL  B1103 (-3.8A)
 1.47A 3g89A-5v4qB:
undetectable		 3g89A-5v4qB:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G89_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 5v4q GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 LIGHT
CHAIN
(Homo
sapiens) 		6 / 11 GLY B 473
ALA B 480
THR B 481
ARG B 503
GLU B 516
ALA B 382
 8WY  B1102 (-3.7A)
None
None
None
None
CL  B1103 (-3.8A)
 1.34A 3g89B-5v4qB:
undetectable		 3g89B-5v4qB:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8B_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 5v4q GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 LIGHT
CHAIN
(Homo
sapiens) 		6 / 12 GLY B 473
ALA B 480
THR B 481
ARG B 503
GLU B 516
ALA B 382
 8WY  B1102 (-3.7A)
None
None
None
None
CL  B1103 (-3.8A)
 1.32A 3g8bA-5v4qB:
undetectable		 3g8bA-5v4qB:
23.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GAL_B_1GNB999_1
(GALECTIN-7)		 4zlr BRAIN TUMOR PROTEIN
(Drosophila
melanogaster) 		4 / 6 HIS A 977
ASN A 981
ARG A 761
ASN A 958
 SO4  A1103 (-3.9A)
None
None
None
 1.40A 3galB-4zlrA:
undetectable		 3galB-4zlrA:
19.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 ALA A 700
GLU A 715
LEU A 719
ILE A 729
HIS A 795
ASP A 828
 ADP  A2101 (-3.5A)
None
None
None
None
SR  A2103 (-2.6A)
 1.27A 3gp0A-3lj0A:
20.9		 3gp0A-3lj0A:
27.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H1X_A_IMNA301_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 5 HIS A 160
ASP A 114
PRO A  66
LYS A  65
 None
None
SO4  A1034 ( 4.7A)
None
 1.25A 3h1xA-6bv2A:
undetectable		 3h1xA-6bv2A:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		 6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE
(Rhodothermus
marinus) 		3 / 3 MET B 800
CYH B 980
PRO B 862
 SF4  B1103 ( 4.7A)
SF4  B1104 (-2.2A)
None
 1.14A 3h52C-6f0kB:
undetectable		 3h52C-6f0kB:
13.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HCN_A_CHDA3_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4yzr POLYKETIDE
BIOSYNTHESIS
CYTOCHROME P450 PKSS
(Bacillus
subtilis) 		4 / 7 MET A 234
LEU A 216
ARG A 103
GLY A 354
 MET  A 234 ( 0.0A)
LEU  A 216 ( 0.6A)
ARG  A 103 (-0.6A)
GLY  A 354 (-0.0A)
 1.02A 3hcnA-4yzrA:
undetectable		 3hcnA-4yzrA:
23.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3hsnA-5bs1A:
undetectable
3hsnB-5bs1A:
undetectable		 3hsnA-5bs1A:
14.45
3hsnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSN_B_H4BB1760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.26A 3hsnA-5bs1A:
undetectable
3hsnB-5bs1A:
undetectable		 3hsnA-5bs1A:
14.45
3hsnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HSO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3hsoA-5bs1A:
undetectable
3hsoB-5bs1A:
undetectable		 3hsoA-5bs1A:
14.45
3hsoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IHZ_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE, PUTATIVE)		 3r6y ASPARTASE
(Bacillus
sp.
YM55-1) 		4 / 8 ASP A  93
GLY A 100
SER A 102
ILE A 103
 ASP  A  93 ( 0.5A)
GLY  A 100 ( 0.0A)
SER  A 102 ( 0.0A)
ILE  A 103 ( 0.6A)
 0.69A 3ihzB-3r6yA:
undetectable		 3ihzB-3r6yA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IK3_B_0LIB2_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 7 LEU A 736
VAL A 768
ILE A 759
ARG A 728
 None
None
None
BCO  A1103 (-3.6A)
 1.19A 3ik3B-5cjuA:
undetectable		 3ik3B-5cjuA:
13.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.22A 3iv6A-5gruL:
undetectable		 3iv6A-5gruL:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_B_SAMB301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.20A 3iv6B-5gruL:
undetectable		 3iv6B-5gruL:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.28A 3iv6C-5gruL:
undetectable		 3iv6C-5gruL:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 TRP L  48
GLY H 225
THR H 227
PHE L 103
ILE L 101
 TRP  L  48 ( 0.5A)
GLY  H 225 ( 0.0A)
THR  H 227 ( 0.8A)
PHE  L 103 ( 1.3A)
ILE  L 101 ( 0.7A)
 1.24A 3iv6D-5gruL:
undetectable		 3iv6D-5gruL:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT3_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3jt3A-5bs1A:
undetectable
3jt3B-5bs1A:
undetectable		 3jt3A-5bs1A:
14.45
3jt3B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3jt5A-5bs1A:
undetectable
3jt5B-5bs1A:
undetectable		 3jt5A-5bs1A:
14.45
3jt5B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT8_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jt8A-5bs1A:
undetectable
3jt8B-5bs1A:
undetectable		 3jt8A-5bs1A:
14.45
3jt8B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JT8_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jt8A-5bs1A:
undetectable
3jt8B-5bs1A:
undetectable		 3jt8A-5bs1A:
14.45
3jt8B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jwsA-5bs1A:
undetectable
3jwsB-5bs1A:
undetectable		 3jwsA-5bs1A:
14.45
3jwsB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWS_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwsA-5bs1A:
undetectable
3jwsB-5bs1A:
undetectable		 3jwsA-5bs1A:
14.45
3jwsB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwtA-5bs1A:
undetectable
3jwtB-5bs1A:
undetectable		 3jwtA-5bs1A:
14.45
3jwtB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3jwuA-5bs1A:
undetectable
3jwuB-5bs1A:
undetectable		 3jwuA-5bs1A:
14.45
3jwuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWU_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwuA-5bs1A:
undetectable
3jwuB-5bs1A:
undetectable		 3jwuA-5bs1A:
14.45
3jwuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3jwvA-5bs1A:
undetectable
3jwvB-5bs1A:
undetectable		 3jwvA-5bs1A:
14.45
3jwvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JWV_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3jwvA-5bs1A:
undetectable
3jwvB-5bs1A:
undetectable		 3jwvA-5bs1A:
14.45
3jwvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JX0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3jx0A-5bs1A:
undetectable
3jx0B-5bs1A:
undetectable		 3jx0A-5bs1A:
14.45
3jx0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 850
ARG A 843
ALA A 420
ASP A 576
ASP A 829
 None
None
None
None
ADP  A1103 (-3.8A)
 1.11A 3jzjA-5b7iA:
undetectable		 3jzjA-5b7iA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_2
(HIV-1 PROTEASE)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		4 / 4 GLY A 766
ASP A 768
GLY A 741
THR A 701
 None
MG  A1103 (-3.3A)
None
None
 1.09A 3k4vC-4jx6A:
undetectable		 3k4vC-4jx6A:
10.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KEC_B_HAEB271_1
(COLLAGENASE 3)		 5kdj F5/8 TYPE C DOMAIN
PROTEIN
(Clostridium
perfringens) 		3 / 3 HIS B 756
GLU B 757
HIS B 760
 ZN  B1103 (-3.3A)
ZN  B1103 ( 4.3A)
ZN  B1103 (-3.4A)
 0.19A 3kecB-5kdjB:
2.4		 3kecB-5kdjB:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KK6_A_CELA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3bpo INTERLEUKIN 13
(Homo
sapiens) 		5 / 12 LEU A 103
SER A  50
ILE A  37
GLY A  42
ALA A  41
 LEU  A 103 ( 0.6A)
SER  A  50 ( 0.0A)
ILE  A  37 ( 0.4A)
GLY  A  42 ( 0.0A)
ALA  A  41 ( 0.0A)
 1.07A 3kk6A-3bpoA:
undetectable		 3kk6A-3bpoA:
11.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		5 / 8 VAL A  31
ALA A  52
LYS A  54
GLU A  69
LEU A 103
 VAL  A  31 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
GLU  A  69 ( 0.6A)
LEU  A 103 ( 0.6A)
 0.57A 3lfaA-5d7aA:
22.0		 3lfaA-5d7aA:
24.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		 3jze DIHYDROOROTASE
(Salmonella
enterica) 		4 / 7 LEU A 127
LEU A  81
SER A  84
THR A  51
 None
KCX  A 103 ( 3.7A)
None
None
 0.92A 3lm8A-3jzeA:
undetectable
3lm8C-3jzeA:
undetectable		 3lm8A-3jzeA:
21.45
3lm8C-3jzeA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 3p06 VP4 PROTEIN
(Tellina
virus) 		5 / 12 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.06A 3mteA-3p06A:
undetectable		 3mteA-3p06A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 GLY A 905
GLY A 936
VAL A 902
ALA A 909
SER A 966
 SO4  A1104 ( 4.2A)
None
None
FAD  A1101 ( 4.1A)
SO4  A1103 (-2.8A)
 1.07A 3mteA-4dqkA:
2.6		 3mteA-4dqkA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MTE_B_SAMB220_0
(16S RRNA METHYLASE)		 3p06 VP4 PROTEIN
(Tellina
virus) 		5 / 12 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.05A 3mteB-3p06A:
undetectable		 3mteB-3p06A:
23.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2R_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3n2rA-5bs1A:
undetectable
3n2rB-5bs1A:
undetectable		 3n2rA-5bs1A:
14.45
3n2rB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3n5yA-5bs1A:
undetectable
3n5yB-5bs1A:
undetectable		 3n5yA-5bs1A:
14.45
3n5yB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N5Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3n5zA-5bs1A:
undetectable
3n5zB-5bs1A:
undetectable		 3n5zA-5bs1A:
14.45
3n5zB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 11 VAL A 121
GLY A 103
ALA A 102
SER A 100
LEU A  34
 VAL  A 121 ( 0.6A)
GLY  A 103 ( 0.0A)
ALA  A 102 ( 0.0A)
SER  A 100 ( 0.0A)
LEU  A  34 ( 0.6A)
 1.19A 3n8yA-4mwtA:
undetectable		 3n8yA-4mwtA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLJ_B_H4BB761_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 3nljA-5bs1A:
undetectable
3nljB-5bs1A:
undetectable		 3nljA-5bs1A:
15.01
3nljB-5bs1A:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLK_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3nlkA-5bs1A:
undetectable
3nlkB-5bs1A:
undetectable		 3nlkA-5bs1A:
14.45
3nlkB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3nlkA-5bs1A:
undetectable
3nlkB-5bs1A:
undetectable		 3nlkA-5bs1A:
14.45
3nlkB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlmA-5bs1A:
undetectable
3nlmB-5bs1A:
undetectable		 3nlmA-5bs1A:
14.45
3nlmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 3nlnA-5bs1A:
undetectable
3nlnB-5bs1A:
undetectable		 3nlnA-5bs1A:
14.45
3nlnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlvA-5bs1A:
undetectable
3nlvB-5bs1A:
undetectable		 3nlvA-5bs1A:
14.45
3nlvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nlwA-5bs1A:
undetectable
3nlwB-5bs1A:
undetectable		 3nlwA-5bs1A:
14.45
3nlwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3nlxA-5bs1A:
undetectable
3nlxB-5bs1A:
undetectable		 3nlxA-5bs1A:
14.45
3nlxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLX_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3nlxA-5bs1A:
undetectable
3nlxB-5bs1A:
undetectable		 3nlxA-5bs1A:
14.45
3nlxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NLY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3nlyA-5bs1A:
undetectable
3nlyB-5bs1A:
undetectable		 3nlyA-5bs1A:
14.45
3nlyB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nm0A-5bs1A:
undetectable
3nm0B-5bs1A:
undetectable		 3nm0A-5bs1A:
14.45
3nm0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NM0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3nm0A-5bs1A:
undetectable
3nm0B-5bs1A:
undetectable		 3nm0A-5bs1A:
14.45
3nm0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNY_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3nnyA-5bs1A:
undetectable
3nnyB-5bs1A:
undetectable		 3nnyA-5bs1A:
14.45
3nnyB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNY_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3nnyA-5bs1A:
undetectable
3nnyB-5bs1A:
undetectable		 3nnyA-5bs1A:
14.45
3nnyB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NNZ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3nnzA-5bs1A:
undetectable
3nnzB-5bs1A:
undetectable		 3nnzA-5bs1A:
14.45
3nnzB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_2
(CYTOCHROME P450 3A4)		 2dj6 HYPOTHETICAL PROTEIN
PH0634
(Pyrococcus
horikoshii) 		4 / 7 ARG A  87
ILE A  88
LEU A 103
ARG A  66
 ARG  A  87 ( 0.6A)
ILE  A  88 ( 0.7A)
LEU  A 103 ( 0.6A)
ARG  A  66 ( 0.6A)
 0.95A 3nxuA-2dj6A:
undetectable		 3nxuA-2dj6A:
12.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		 3p06 VP4 PROTEIN
(Tellina
virus) 		5 / 12 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.10A 3p2kB-3p06A:
undetectable		 3p2kB-3p06A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_C_SAMC6735_0
(16S RRNA METHYLASE)		 3p06 VP4 PROTEIN
(Tellina
virus) 		5 / 12 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.05A 3p2kC-3p06A:
undetectable		 3p2kC-3p06A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 3p06 VP4 PROTEIN
(Tellina
virus) 		5 / 12 GLY A 788
GLY A 786
VAL A 781
ALA A 790
LEU A 757
 GOL  A 101 ( 3.8A)
GOL  A 101 (-4.4A)
GOL  A 103 (-3.7A)
None
None
 1.06A 3p2kD-3p06A:
undetectable		 3p2kD-3p06A:
24.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		5 / 12 GLY A 905
GLY A 936
VAL A 902
ALA A 909
SER A 966
 SO4  A1104 ( 4.2A)
None
None
FAD  A1101 ( 4.1A)
SO4  A1103 (-2.8A)
 1.00A 3p2kD-4dqkA:
4.5		 3p2kD-4dqkA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PNF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3pnfA-5bs1A:
undetectable
3pnfB-5bs1A:
undetectable		 3pnfA-5bs1A:
14.45
3pnfB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q99_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3q99A-5bs1A:
undetectable
3q99B-5bs1A:
undetectable		 3q99A-5bs1A:
14.45
3q99B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEL_B_QELB1_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		 5crc SDEA
(Legionella
pneumophila) 		5 / 11 TYR A  76
THR A 103
LEU A  78
ALA A  96
THR A  54
 TYR  A  76 ( 1.3A)
THR  A 103 ( 0.8A)
LEU  A  78 ( 0.6A)
ALA  A  96 ( 0.0A)
THR  A  54 ( 0.8A)
 1.25A 3qelA-5crcA:
undetectable
3qelB-5crcA:
undetectable		 3qelA-5crcA:
21.09
3qelB-5crcA:
23.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA601_0
(LACCASE-1)		 2m9a E3 UBIQUITIN-PROTEIN
LIGASE ZFP91
(Homo
sapiens) 		4 / 5 HIS A  90
CYH A  74
ILE A  76
HIS A  95
 ZN  A 103 (-3.2A)
ZN  A 103 (-2.3A)
ZN  A 103 ( 4.8A)
ZN  A 103 (-3.3A)
 1.49A 3qpkA-2m9aA:
undetectable		 3qpkA-2m9aA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA601_0
(LACCASE-1)		 2mq1 E3 UBIQUITIN-PROTEIN
LIGASE HAKAI
(Mus
musculus) 		4 / 5 HIS A  80
CYH A  61
ILE A  63
HIS A  85
 ZN  A 103 (-3.1A)
ZN  A 103 (-2.3A)
ZN  A 103 ( 4.9A)
ZN  A 103 (-2.9A)
 1.41A 3qpkA-2mq1A:
undetectable		 3qpkA-2mq1A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA601_0
(LACCASE-1)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		4 / 5 HIS A 275
CYH A 318
HIS A 323
LEU A 328
 CU  A1103 (-3.3A)
CU  A1103 (-2.1A)
CU  A1103 (-3.0A)
CU  A1103 (-4.4A)
 0.53A 3qpkA-5n4lA:
11.0		 3qpkA-5n4lA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA601_0
(LACCASE-1)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Cyanidioschyzon
merolae) 		4 / 5 HIS A 404
ILE A 407
HIS A 346
LEU A 349
 CLA  A1128 (-4.1A)
None
CLA  A1103 (-3.2A)
CLA  A1103 ( 3.6A)
 1.32A 3qpkA-6fosA:
undetectable		 3qpkA-6fosA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB601_0
(LACCASE-1)		 2m9a E3 UBIQUITIN-PROTEIN
LIGASE ZFP91
(Homo
sapiens) 		4 / 4 HIS A  90
CYH A  74
ILE A  76
HIS A  95
 ZN  A 103 (-3.2A)
ZN  A 103 (-2.3A)
ZN  A 103 ( 4.8A)
ZN  A 103 (-3.3A)
 1.47A 3qpkB-2m9aA:
undetectable		 3qpkB-2m9aA:
9.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_B_CUB601_0
(LACCASE-1)		 2mq1 E3 UBIQUITIN-PROTEIN
LIGASE HAKAI
(Mus
musculus) 		4 / 4 HIS A  80
CYH A  61
ILE A  63
HIS A  85
 ZN  A 103 (-3.1A)
ZN  A 103 (-2.3A)
ZN  A 103 ( 4.9A)
ZN  A 103 (-2.9A)
 1.38A 3qpkB-2mq1A:
undetectable		 3qpkB-2mq1A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QXV_D_MTXD2000_2
(ANTI-METHOTREXATE
CDR1-4 GRAFT VHH)		 3jb9 SMALL NUCLEAR
RIBONUCLEOPROTEIN F
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D2
(Schizosaccharomy
ces
pombe) 		3 / 3 LEU I  64
ARG G  48
ASN G  65
 None
U  C 103 ( 2.9A)
U  C 101 ( 3.2A)
 0.71A 3qxvD-3jb9I:
undetectable		 3qxvD-3jb9I:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3rqmA-5bs1A:
undetectable
3rqmB-5bs1A:
undetectable		 3rqmA-5bs1A:
14.45
3rqmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQN_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3rqnA-5bs1A:
undetectable
3rqnB-5bs1A:
undetectable		 3rqnA-5bs1A:
14.45
3rqnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SUE_A_SUEA1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		4 / 4 PHE B 464
TYR D 141
ARG D 128
LEU D 122
 MGE  B1060 ( 3.9A)
None
None
PHO  D1039 (-4.7A)
 1.31A 3sueA-3a0hB:
0.0		 3sueA-3a0hB:
16.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3tylA-5bs1A:
undetectable
3tylB-5bs1A:
undetectable		 3tylA-5bs1A:
14.45
3tylB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 3tymA-5bs1A:
undetectable
3tymB-5bs1A:
undetectable		 3tymA-5bs1A:
14.45
3tymB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3tynA-5bs1A:
undetectable
3tynB-5bs1A:
undetectable		 3tynA-5bs1A:
14.45
3tynB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TYO_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3tyoA-5bs1A:
undetectable
3tyoB-5bs1A:
undetectable		 3tyoA-5bs1A:
14.45
3tyoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 3ufoA-5bs1A:
undetectable
3ufoB-5bs1A:
undetectable		 3ufoA-5bs1A:
14.45
3ufoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.26A 3ufpA-5bs1A:
undetectable
3ufpB-5bs1A:
undetectable		 3ufpA-5bs1A:
14.45
3ufpB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFP_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 3ufpA-5bs1A:
undetectable
3ufpB-5bs1A:
undetectable		 3ufpA-5bs1A:
14.45
3ufpB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufqA-5bs1A:
undetectable
3ufqB-5bs1A:
undetectable		 3ufqA-5bs1A:
14.45
3ufqB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3ufrA-5bs1A:
undetectable
3ufrB-5bs1A:
undetectable		 3ufrA-5bs1A:
14.45
3ufrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 3ufrA-5bs1A:
undetectable
3ufrB-5bs1A:
undetectable		 3ufrA-5bs1A:
14.45
3ufrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFS_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 3ufsA-5bs1A:
undetectable
3ufsB-5bs1A:
undetectable		 3ufsA-5bs1A:
14.45
3ufsB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFS_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 3ufsA-5bs1A:
undetectable
3ufsB-5bs1A:
undetectable		 3ufsA-5bs1A:
14.45
3ufsB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufuA-5bs1A:
undetectable
3ufuB-5bs1A:
undetectable		 3ufuA-5bs1A:
14.45
3ufuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFV_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 3ufvA-5bs1A:
undetectable
3ufvB-5bs1A:
undetectable		 3ufvA-5bs1A:
14.45
3ufvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 3ufwA-5bs1A:
undetectable
3ufwB-5bs1A:
undetectable		 3ufwA-5bs1A:
14.45
3ufwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		7 / 12 VAL A  39
ALA A  52
LYS A  54
LEU A 103
MET A 105
GLY A 111
LEU A 160
 VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A 103 ( 0.6A)
MET  A 105 (-0.0A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
 0.90A 3ug2A-5d7aA:
16.0		 3ug2A-5d7aA:
25.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_C_ACTC502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5ep8 PYRIMIDINE-NUCLEOSID
E PHOSPHORYLASE
(Bacillus
subtilis) 		3 / 3 PRO A 105
ASP A 103
GLU A  75
 PRO  A 105 ( 1.1A)
ASP  A 103 ( 0.6A)
GLU  A  75 ( 0.6A)
 0.83A 3v4tC-5ep8A:
undetectable		 3v4tC-5ep8A:
26.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_E_ACTE502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 1xf1 C5A PEPTIDASE
(Streptococcus
pyogenes) 		3 / 3 LYS A 302
ARG A 393
LEU A 497
 None
CIT  A1103 ( 3.7A)
None
 1.13A 3v4tE-1xf1A:
undetectable		 3v4tE-1xf1A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V4T_H_ACTH503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 5v4q GAMMA-GLUTAMYLTRANSP
EPTIDASE 1 LIGHT
CHAIN
(Homo
sapiens) 		4 / 7 ALA B 472
ILE B 477
ARG B 503
GLY B 470
 CL  B1103 (-3.6A)
None
None
None
 0.91A 3v4tH-5v4qB:
undetectable		 3v4tH-5v4qB:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_E_W9TE505_1
(HEMOLYTIC LECTIN
CEL-III)		 3bgu FERREDOXIN-LIKE
PROTEIN OF UNKNOWN
FUNCTION
(Thermobifida
fusca) 		4 / 5 GLU A  36
GLY A  66
TYR A  70
GLN A  71
 EDO  A 104 ( 4.6A)
None
EDO  A 103 ( 4.4A)
EDO  A 102 (-4.0A)
 1.41A 3w9tE-3bguA:
undetectable		 3w9tE-3bguA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_G_W9TG505_1
(HEMOLYTIC LECTIN
CEL-III)		 3bgu FERREDOXIN-LIKE
PROTEIN OF UNKNOWN
FUNCTION
(Thermobifida
fusca) 		4 / 5 GLU A  36
GLY A  66
TYR A  70
GLN A  71
 EDO  A 104 ( 4.6A)
None
EDO  A 103 ( 4.4A)
EDO  A 102 (-4.0A)
 1.40A 3w9tG-3bguA:
undetectable		 3w9tG-3bguA:
13.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
LEU A 745
LEU A 747
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.47A 3zbfA-3lj0A:
24.3		 3zbfA-3lj0A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_A_NCAA300_0
(PROTOGLOBIN)		 2od4 HYPOTHETICAL PROTEIN
(uncultured
marine
organism) 		4 / 7 TYR A  58
VAL A  13
VAL A  38
ILE A  10
 EDO  A 103 ( 4.9A)
None
None
None
 0.98A 3zjqA-2od4A:
undetectable		 3zjqA-2od4A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 2od4 HYPOTHETICAL PROTEIN
(uncultured
marine
organism) 		4 / 7 TYR A  58
VAL A  13
VAL A  38
ILE A  10
 EDO  A 103 ( 4.9A)
None
None
None
 0.98A 3zjqB-2od4A:
undetectable		 3zjqB-2od4A:
19.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.44A 4anqA-3lj0A:
23.0		 4anqA-3lj0A:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C2P_A_X8ZA709_1
(ANGIOTENSIN-CONVERTI
NG ENZYME)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 11 HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.76A 4c2pA-6bv2A:
3.7		 4c2pA-6bv2A:
10.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C39_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4c39A-5bs1A:
undetectable
4c39B-5bs1A:
undetectable		 4c39A-5bs1A:
14.45
4c39B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_A_0LIA1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
GLU A 715
LEU A 719
ILE A 743
HIS A 795
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
None
None
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 1.09A 4c8bA-3lj0A:
22.8		 4c8bA-3lj0A:
27.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4camA-5bs1A:
undetectable
4camB-5bs1A:
undetectable		 4camA-5bs1A:
14.45
4camB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAM_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4camA-5bs1A:
undetectable
4camB-5bs1A:
undetectable		 4camA-5bs1A:
14.45
4camB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAN_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4canA-5bs1A:
undetectable
4canB-5bs1A:
undetectable		 4canA-5bs1A:
14.45
4canB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4caoA-5bs1A:
undetectable
4caoB-5bs1A:
undetectable		 4caoA-5bs1A:
14.45
4caoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CAP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4capA-5bs1A:
undetectable
4capB-5bs1A:
undetectable		 4capA-5bs1A:
14.45
4capB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CDT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 4cdtA-5bs1A:
undetectable
4cdtB-5bs1A:
undetectable		 4cdtA-5bs1A:
14.45
4cdtB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CDT_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 4cdtA-5bs1A:
undetectable
4cdtB-5bs1A:
undetectable		 4cdtA-5bs1A:
14.45
4cdtB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctpA-5bs1A:
undetectable
4ctpB-5bs1A:
undetectable		 4ctpA-5bs1A:
14.45
4ctpB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTQ_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctqA-5bs1A:
undetectable
4ctqB-5bs1A:
undetectable		 4ctqA-5bs1A:
14.45
4ctqB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTQ_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4ctqA-5bs1A:
undetectable
4ctqB-5bs1A:
undetectable		 4ctqA-5bs1A:
14.45
4ctqB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4ctrA-5bs1A:
undetectable
4ctrB-5bs1A:
undetectable		 4ctrA-5bs1A:
14.45
4ctrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTT_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 4cttA-5bs1A:
undetectable
4cttB-5bs1A:
undetectable		 4cttA-5bs1A:
14.45
4cttB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTU_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4ctuA-5bs1A:
undetectable
4ctuB-5bs1A:
undetectable		 4ctuA-5bs1A:
14.45
4ctuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTV_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4ctvA-5bs1A:
undetectable
4ctvB-5bs1A:
undetectable		 4ctvA-5bs1A:
14.45
4ctvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTV_B_H4BB1720_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4ctvA-5bs1A:
undetectable
4ctvB-5bs1A:
undetectable		 4ctvA-5bs1A:
14.45
4ctvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTW_A_H4BA1718_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 4ctwA-5bs1A:
undetectable
4ctwB-5bs1A:
undetectable		 4ctwA-5bs1A:
14.45
4ctwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CX5_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4cx5A-5bs1A:
undetectable
4cx5B-5bs1A:
undetectable		 4cx5A-5bs1A:
14.45
4cx5B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1N_D_H4BD760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 4d1nC-5bs1A:
undetectable
4d1nD-5bs1A:
undetectable		 4d1nC-5bs1A:
16.01
4d1nD-5bs1A:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D2Z_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 4d2zA-5bs1A:
undetectable
4d2zB-5bs1A:
undetectable		 4d2zA-5bs1A:
14.45
4d2zB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D31_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4d31A-5bs1A:
undetectable
4d31B-5bs1A:
undetectable		 4d31A-5bs1A:
14.45
4d31B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 0.97A 4d7bB-4w65A:
undetectable		 4d7bB-4w65A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DCM_A_SAMA401_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE G)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 11 GLY A 480
GLY A 284
ILE A 281
ASP A 481
PRO A 197
 FAD  A1031 (-3.4A)
FAD  A1031 (-3.6A)
None
FAD  A1031 (-3.0A)
FAD  A1031 (-3.7A)
 1.10A 4dcmA-1h7wA:
3.2		 4dcmA-1h7wA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DPR_A_X8ZA702_1
(LEUKOTRIENE A-4
HYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 9 GLY A 347
HIS A 383
GLU A 384
GLU A 406
TYR A 472
 SO4  A1027 (-3.1A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.68A 4dprA-6bv2A:
25.0		 4dprA-6bv2A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EF3_A_CUA1001_0
(BLUE COPPER OXIDASE
CUEO)		 2bz7 PLASTOCYANIN
(Dryopteris
crassirhizoma) 		4 / 4 HIS A  37
CYH A  87
HIS A  90
MET A  95
 CU  A 103 (-3.1A)
CU  A 103 (-2.2A)
CU  A 103 (-3.2A)
CU  A 103 (-2.8A)
 0.27A 4ef3A-2bz7A:
undetectable		 4ef3A-2bz7A:
11.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		4 / 7 ASP B2252
ASP B2146
ASN B2087
ASP B2081
 None
MG  B 101 ( 3.1A)
ATP  B 103 (-3.6A)
ATP  B 103 (-3.8A)
 1.17A 4feuB-2nvuB:
undetectable		 4feuB-2nvuB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		5 / 12 GLU A 779
GLY A 827
ARG A 854
VAL A1028
VAL A 774
 None
None
ADP  A1103 (-3.0A)
None
None
 1.44A 4ffwA-5b7iA:
undetectable		 4ffwA-5b7iA:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_B_D16B302_1
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.18A 4foxB-2nvuB:
undetectable		 4foxB-2nvuB:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOX_G_D16G301_1
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.24A 4foxG-2nvuB:
undetectable		 4foxG-2nvuB:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_A_LYAA302_1
(THYMIDYLATE SYNTHASE)		 3a0h PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		5 / 12 TRP D 191
LEU D 279
GLY D 278
VAL D 152
ALA D 151
 CLA  D1004 (-4.8A)
PHO  D1039 ( 4.0A)
PQ9  D1042 ( 4.9A)
CLA  D1004 (-3.9A)
None
 1.05A 4fqsA-3a0hD:
undetectable		 4fqsA-3a0hD:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FQS_B_LYAB302_1
(THYMIDYLATE SYNTHASE)		 3a0h PHOTOSYSTEM II D2
PROTEIN
(Thermosynechococ
cus
vulcanus) 		5 / 12 TRP D 191
LEU D 279
GLY D 278
VAL D 152
ALA D 151
 CLA  D1004 (-4.8A)
PHO  D1039 ( 4.0A)
PQ9  D1042 ( 4.9A)
CLA  D1004 (-3.9A)
None
 1.07A 4fqsB-3a0hD:
undetectable		 4fqsB-3a0hD:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4fvwA-5bs1A:
undetectable
4fvwB-5bs1A:
undetectable		 4fvwA-5bs1A:
14.45
4fvwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 4fvwA-5bs1A:
undetectable
4fvwB-5bs1A:
undetectable		 4fvwA-5bs1A:
14.45
4fvwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4fvxA-5bs1A:
undetectable
4fvxB-5bs1A:
undetectable		 4fvxA-5bs1A:
14.45
4fvxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 4fvxA-5bs1A:
undetectable
4fvxB-5bs1A:
undetectable		 4fvxA-5bs1A:
14.45
4fvxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		4 / 6 ASP B2252
ASP B2146
ASN B2087
ASP B2081
 None
MG  B 101 ( 3.1A)
ATP  B 103 (-3.6A)
ATP  B 103 (-3.8A)
 1.34A 4gkhJ-2nvuB:
undetectable		 4gkhJ-2nvuB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		4 / 8 ASP B2146
ASP B2084
ASP B2081
ASP B2250
 MG  B 101 ( 3.1A)
None
ATP  B 103 (-3.8A)
None
 0.91A 4gkhC-2nvuB:
undetectable
4gkhK-2nvuB:
undetectable		 4gkhC-2nvuB:
17.17
4gkhK-2nvuB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		4 / 8 ASP B2146
ASP B2084
ASP B2081
ASP B2250
 MG  B 101 ( 3.1A)
None
ATP  B 103 (-3.8A)
None
 0.88A 4gkiE-2nvuB:
undetectable
4gkiG-2nvuB:
undetectable		 4gkiE-2nvuB:
17.17
4gkiG-2nvuB:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GQE_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4gqeA-5bs1A:
undetectable
4gqeB-5bs1A:
undetectable		 4gqeA-5bs1A:
14.45
4gqeB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GQE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4gqeA-5bs1A:
undetectable
4gqeB-5bs1A:
undetectable		 4gqeA-5bs1A:
14.45
4gqeB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4H1N_A_CGEA505_1
(CYTOCHROME P450 2B4)		 3ulk KETOL-ACID
REDUCTOISOMERASE
(Escherichia
coli) 		5 / 11 ILE A  96
ALA A 126
ALA A 127
ILE A 103
VAL A  43
 ILE  A  96 ( 0.7A)
ALA  A 126 ( 0.0A)
ALA  A 127 ( 0.0A)
ILE  A 103 ( 0.7A)
VAL  A  43 ( 0.6A)
 1.10A 4h1nA-3ulkA:
0.7		 4h1nA-3ulkA:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
VAL A  39
ALA A  52
LEU A 103
MET A 105
GLY A 111
ASP A 115
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LEU  A 103 ( 0.6A)
MET  A 105 (-0.0A)
GLY  A 111 (-0.0A)
ASP  A 115 (-0.6A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.94A 4i22A-5d7aA:
14.3		 4i22A-5d7aA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		 5d7a TRAF2 AND
NCK-INTERACTING
PROTEIN KINASE
(Homo
sapiens) 		9 / 12 GLY A  32
VAL A  39
ALA A  52
LYS A  54
LEU A 103
MET A 105
GLY A 111
LEU A 160
ASP A 171
 GLY  A  32 ( 0.0A)
VAL  A  39 (-0.6A)
ALA  A  52 (-0.0A)
LYS  A  54 ( 0.0A)
LEU  A 103 ( 0.6A)
MET  A 105 (-0.0A)
GLY  A 111 (-0.0A)
LEU  A 160 (-0.6A)
ASP  A 171 ( 0.5A)
 0.83A 4i22A-5d7aA:
14.3		 4i22A-5d7aA:
25.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 VAL A 689
ALA A 700
ILE A 729
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.85A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 VAL A 689
ILE A 729
ASP A 754
ASP A 797
LYS A 799
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
None
ADP  A2101 ( 4.9A)
None
None
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.93A 4i41A-3lj0A:
24.9		 4i41A-3lj0A:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 1.00A 4i89A-4w65A:
undetectable		 4i89A-4w65A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IAA_A_RTZA401_1
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 11 VAL A 689
ALA A 700
LYS A 702
LEU A 745
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
SR  A2103 (-2.6A)
 0.39A 4iaaA-3lj0A:
24.5		 4iaaA-3lj0A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 4hb4 EXPORTIN-1
(Saccharomyces
cerevisiae) 		5 / 10 ALA C 956
LEU C 959
PHE C 940
VAL C 936
THR C1019
 None
None
None
None
EDO  C1103 ( 4.0A)
 0.96A 4j14A-4hb4C:
undetectable		 4j14A-4hb4C:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		3 / 3 ASP A 472
LEU A 467
VAL A 178
 SWA  A1103 (-2.9A)
None
None
 0.63A 4jecB-1hwwA:
undetectable		 4jecB-1hwwA:
7.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSG_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4jsgA-5bs1A:
undetectable
4jsgB-5bs1A:
undetectable		 4jsgA-5bs1A:
14.45
4jsgB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4jsiA-5bs1A:
undetectable
4jsiB-5bs1A:
undetectable		 4jsiA-5bs1A:
14.45
4jsiB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JSJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4jsjA-5bs1A:
undetectable
4jsjB-5bs1A:
undetectable		 4jsjA-5bs1A:
14.45
4jsjB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_A_ACTA502_0
(RNA POLYMERASE
3D-POL)		 4pkd U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
A,U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN 70
KDA
(Homo
sapiens;
Sus
scrofa) 		3 / 3 ARG B 136
LYS B 135
LYS B 139
 G  V 103 ( 3.2A)
None
G  V 102 ( 2.7A)
 1.41A 4k50A-4pkdB:
2.6		 4k50A-4pkdB:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K50_E_ACTE502_0
(RNA POLYMERASE
3D-POL)		 4pkd U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN
A,U1 SMALL NUCLEAR
RIBONUCLEOPROTEIN 70
KDA
(Homo
sapiens;
Sus
scrofa) 		3 / 3 ARG B 136
LYS B 135
LYS B 139
 G  V 103 ( 3.2A)
None
G  V 102 ( 2.7A)
 1.24A 4k50E-4pkdB:
undetectable		 4k50E-4pkdB:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5E_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4k5eA-5bs1A:
undetectable
4k5eB-5bs1A:
undetectable		 4k5eA-5bs1A:
14.45
4k5eB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K5G_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4k5gA-5bs1A:
undetectable
4k5gB-5bs1A:
undetectable		 4k5gA-5bs1A:
14.45
4k5gB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4kckA-5bs1A:
undetectable
4kckB-5bs1A:
undetectable		 4kckA-5bs1A:
14.45
4kckB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 4kckA-5bs1A:
undetectable
4kckB-5bs1A:
undetectable		 4kckA-5bs1A:
14.45
4kckB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4kclA-5bs1A:
undetectable
4kclB-5bs1A:
undetectable		 4kclA-5bs1A:
14.45
4kclB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4kcmA-5bs1A:
undetectable
4kcmB-5bs1A:
undetectable		 4kcmA-5bs1A:
14.45
4kcmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4kcnA-5bs1A:
undetectable
4kcnB-5bs1A:
undetectable		 4kcnA-5bs1A:
14.45
4kcnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4kcnA-5bs1A:
undetectable
4kcnB-5bs1A:
undetectable		 4kcnA-5bs1A:
14.45
4kcnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCO_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4kcoA-5bs1A:
undetectable
4kcoB-5bs1A:
undetectable		 4kcoA-5bs1A:
14.45
4kcoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 4kcoA-5bs1A:
undetectable
4kcoB-5bs1A:
undetectable		 4kcoA-5bs1A:
14.45
4kcoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KLR_A_CHDA505_0
(FERROCHELATASE,
MITOCHONDRIAL)		 4cxf RNA POLYMERASE SIGMA
FACTOR CNRH
(Cupriavidus
metallidurans) 		4 / 5 LEU A 135
LEU A 138
ILE A 146
ARG A 178
 None
None
None
SO4  B1031 (-2.6A)
 0.87A 4klrA-4cxfA:
undetectable		 4klrA-4cxfA:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KMM_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 MET A 690
ARG A 480
SER A 698
VAL A 435
 None
SO4  A1030 (-4.6A)
None
None
 1.40A 4kmmA-6bv2A:
undetectable		 4kmmA-6bv2A:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		5 / 12 ASN A 965
CYH A 966
ASN A1008
ILE A 982
GLN A1029
 FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.3A)
FMN  A1033 (-4.2A)
 1.26A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		9 / 12 VAL A 932
ASN A 941
ASN A 965
CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLN A1029
 None
FMN  A1033 ( 4.4A)
FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.2A)
 0.57A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		5 / 12 VAL A 932
ASN A 941
ASN A 965
CYH A 966
ASN A 998
 None
FMN  A1033 ( 4.4A)
FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.2A)
 1.33A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUK_A_RBFA201_2
(BLUE-LIGHT
PHOTORECEPTOR)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		5 / 9 LEU A 969
VAL A 979
ILE A 982
PHE A1025
GLY A1027
 FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 (-4.3A)
FMN  A1033 ( 4.6A)
FMN  A1033 (-3.7A)
 0.41A 4kukA-1jnuA:
19.4		 4kukA-1jnuA:
34.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KUO_A_RBFA500_1
(BLUE-LIGHT
PHOTORECEPTOR)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		9 / 12 VAL A 932
ASN A 941
ASN A 965
CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLN A1029
 None
FMN  A1033 ( 4.4A)
FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.2A)
 0.58A 4kuoA-1jnuA:
19.9		 4kuoA-1jnuA:
34.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KYK_B_IMNB300_1
(LACTOYLGLUTATHIONE
LYASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 ALA A 198
LEU A 261
GLY A 484
LEU A 442
PHE A 456
 FAD  A1031 (-3.4A)
FAD  A1031 (-4.5A)
None
None
None
 1.06A 4kykA-1h7wA:
0.0
4kykB-1h7wA:
0.0		 4kykA-1h7wA:
11.31
4kykB-1h7wA:
11.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A302_1
(ANCESTRAL STEROID
RECEPTOR 2)		 2dj6 HYPOTHETICAL PROTEIN
PH0634
(Pyrococcus
horikoshii) 		5 / 12 LEU A  52
VAL A  56
LEU A 103
ILE A  88
ILE A  37
 LEU  A  52 ( 0.6A)
VAL  A  56 ( 0.6A)
LEU  A 103 ( 0.6A)
ILE  A  88 ( 0.7A)
ILE  A  37 ( 0.7A)
 1.05A 4ltwA-2dj6A:
undetectable		 4ltwA-2dj6A:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LTW_A_486A303_1
(ANCESTRAL STEROID
RECEPTOR 2)		 4lws UNCHARACTERIZED
PROTEIN
(Thermomonospora
curvata) 		5 / 9 THR A  80
LEU A  77
ALA B  48
LEU B  41
TYR B  55
 None
None
None
None
ACT  B 103 ( 4.9A)
 1.25A 4ltwA-4lwsA:
undetectable		 4ltwA-4lwsA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4luxA-5bs1A:
undetectable
4luxB-5bs1A:
undetectable		 4luxA-5bs1A:
14.45
4luxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LUX_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4luxA-5bs1A:
undetectable
4luxB-5bs1A:
undetectable		 4luxA-5bs1A:
14.45
4luxB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MI4_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		4 / 7 ASN A 320
GLU A 377
GLU A 381
GLU A 322
 MAN  A1031 (-3.9A)
MAN  A1028 (-2.7A)
None
MAN  A1029 (-3.5A)
 1.26A 4mi4A-3ogrA:
undetectable
4mi4C-3ogrA:
undetectable		 4mi4A-3ogrA:
11.01
4mi4C-3ogrA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJ8_C_SPMC201_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		4 / 7 ASN A 320
GLU A 377
GLU A 381
GLU A 322
 MAN  A1031 (-3.9A)
MAN  A1028 (-2.7A)
None
MAN  A1029 (-3.5A)
 1.30A 4mj8C-3ogrA:
undetectable		 4mj8C-3ogrA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJW_A_ACTA603_0
(CHOLINE OXIDASE)		 1jne IMAGINAL DISC GROWTH
FACTOR-2
(Drosophila
melanogaster) 		3 / 3 ARG A 249
HIS A 242
SER A 246
 None
MAN  A3103 (-3.8A)
None
 0.89A 4mjwA-1jneA:
0.0
4mjwB-1jneA:
0.0		 4mjwA-1jneA:
22.68
4mjwB-1jneA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJW_B_ACTB603_0
(CHOLINE OXIDASE)		 1jne IMAGINAL DISC GROWTH
FACTOR-2
(Drosophila
melanogaster) 		3 / 3 SER A 246
ARG A 249
HIS A 242
 None
None
MAN  A3103 (-3.8A)
 0.84A 4mjwA-1jneA:
0.0
4mjwB-1jneA:
0.0		 4mjwA-1jneA:
22.68
4mjwB-1jneA:
22.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
GLY A 683
VAL A 689
LYS A 702
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.3A)
ADP  A2101 (-4.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.84A 4mkcA-3lj0A:
23.5		 4mkcA-3lj0A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
LEU A 745
LEU A 747
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.60A 4mkcA-3lj0A:
23.5		 4mkcA-3lj0A:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.94A 4mxyA-3lj0A:
24.5		 4mxyA-3lj0A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.94A 4mxzA-3lj0A:
24.5		 4mxzA-3lj0A:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_1
(ADENOSINE KINASE)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 LEU A 572
CYH A 816
ALA A 549
ASN A 609
GLY A 764
 None
FMN  A1030 (-3.8A)
FMN  A1030 (-3.3A)
FMN  A1030 (-3.7A)
None
 1.12A 4n09A-1h7wA:
4.9		 4n09A-1h7wA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 7 ALA A 700
CYH A 748
ASN A 802
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-4.2A)
MG  A2102 ( 2.9A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.59A 4ogrE-3lj0A:
24.1		 4ogrE-3lj0A:
25.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OLT_B_GCSB302_1
(CHITOSANASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 ARG A 837
THR A 834
ASP A 399
TYR A 703
 None
GOL  A1038 (-3.3A)
None
None
 1.48A 4oltB-5nn8A:
undetectable		 4oltB-5nn8A:
15.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PFJ_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 THR B2182
ASP B2179
LEU B2063
LEU B2059
GLY B2058
 None
None
None
None
ATP  B 103 ( 4.2A)
 1.46A 4pfjB-2nvuB:
5.9		 4pfjB-2nvuB:
19.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		 1zi7 KES1 PROTEIN
(Saccharomyces
cerevisiae) 		4 / 8 LYS A 262
ALA A 263
LYS A 247
GLU A 232
 None
None
SO4  A1103 (-3.3A)
SO4  A1103 ( 4.9A)
 0.77A 4po0A-1zi7A:
undetectable		 4po0A-1zi7A:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 7 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 0.99A 4pwjB-4w65A:
undetectable		 4pwjB-4w65A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		4 / 8 SER A 492
SER A 227
GLU A 376
ASP A 342
 FAD  A1031 (-3.2A)
FAD  A1031 ( 4.6A)
None
FAD  A1031 (-4.3A)
 1.31A 4qb9D-1h7wA:
0.0		 4qb9D-1h7wA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QMS_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 24)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 11 ALA A 700
LYS A 702
GLU A 715
ILE A 743
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.80A 4qmsA-3lj0A:
25.9		 4qmsA-3lj0A:
27.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWP_A_GCSA302_1
(CHITOSANASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 5 ARG A 837
THR A 834
ASP A 399
TYR A 703
 None
GOL  A1038 (-3.3A)
None
None
 1.49A 4qwpA-5nn8A:
undetectable		 4qwpA-5nn8A:
15.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		7 / 12 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.57A 4r38A-1jnuA:
19.5		 4r38A-1jnuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		4 / 8 ASN A 965
LEU A 969
VAL A 979
PHE A1025
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
 0.75A 4r38A-1jnuA:
19.5		 4r38A-1jnuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_B_RBFB201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		8 / 12 ASN A 965
CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-3.2A)
FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.59A 4r38B-1jnuA:
19.6		 4r38B-1jnuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_C_RBFC201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		7 / 12 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.57A 4r38C-1jnuA:
19.6		 4r38C-1jnuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_D_RBFD201_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		7 / 12 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.59A 4r38D-1jnuA:
19.4		 4r38D-1jnuA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R38_D_RBFD201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		4 / 8 ASN A 965
LEU A 969
VAL A 979
PHE A1025
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
 0.85A 4r38D-1jnuA:
19.4		 4r38D-1jnuA:
33.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		6 / 12 CYH A 966
ARG A 967
GLN A 970
ASN A 998
ASN A1008
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.1A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-4.2A)
 0.52A 4r3aA-1jnuA:
15.4		 4r3aA-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_A_RBFA402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		5 / 8 ASN A 965
LEU A 969
VAL A 979
PHE A1025
GLY A1027
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
FMN  A1033 (-3.7A)
 0.61A 4r3aA-1jnuA:
15.4		 4r3aA-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		5 / 10 ASN A 965
LEU A 969
GLN A 970
VAL A 979
PHE A1025
 FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.1A)
FMN  A1033 ( 4.9A)
FMN  A1033 ( 4.6A)
 0.76A 4r3aB-1jnuA:
15.7		 4r3aB-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		 1jnu PHY3 PROTEIN
(Adiantum
capillus-veneris) 		6 / 12 CYH A 966
ARG A 967
ASN A 998
ASN A1008
GLY A1027
GLN A1029
 FMN  A1033 (-1.8A)
FMN  A1033 (-3.6A)
FMN  A1033 (-3.2A)
FMN  A1033 (-4.1A)
FMN  A1033 (-3.7A)
FMN  A1033 (-4.2A)
 0.50A 4r3aB-1jnuA:
15.7		 4r3aB-1jnuA:
23.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 VAL A 689
ALA A 700
LYS A 702
GLU A 715
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.91A 4r7iA-3lj0A:
21.7		 4r7iA-3lj0A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		6 / 12 GLN A 208
HIS A 383
GLU A 384
HIS A 387
GLU A 406
TYR A 472
 ILE  A1024 (-4.2A)
ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.72A 4r7lA-6bv2A:
30.3		 4r7lA-6bv2A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7L_A_SHHA709_1
(LEUKOTRIENE A-4
HYDROLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		6 / 12 HIS A 383
GLU A 384
HIS A 387
TRP A 399
GLU A 406
TYR A 472
 ZN  A1035 (-3.2A)
ILE  A1024 ( 4.1A)
ZN  A1035 (-3.2A)
SO4  A1025 (-3.5A)
ZN  A1035 ( 2.2A)
SO4  A1032 ( 4.1A)
 0.48A 4r7lA-6bv2A:
30.3		 4r7lA-6bv2A:
8.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R87_I_SPMI202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3ogr BETA-GALACTOSIDASE
(Trichoderma
reesei) 		4 / 7 ASN A 320
GLU A 377
GLU A 381
GLU A 322
 MAN  A1031 (-3.9A)
MAN  A1028 (-2.7A)
None
MAN  A1029 (-3.5A)
 1.18A 4r87I-3ogrA:
undetectable		 4r87I-3ogrA:
10.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 ALA A 700
LYS A 702
LEU A 719
CYH A 748
HIS A 795
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
None
ADP  A2101 (-4.2A)
None
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 1.01A 4u0iA-3lj0A:
22.0		 4u0iA-3lj0A:
23.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UGZ_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4ugzA-5bs1A:
undetectable
4ugzB-5bs1A:
undetectable		 4ugzA-5bs1A:
14.45
4ugzB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 4uh0A-5bs1A:
undetectable
4uh0B-5bs1A:
undetectable		 4uh0A-5bs1A:
14.45
4uh0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4uh0A-5bs1A:
undetectable
4uh0B-5bs1A:
undetectable		 4uh0A-5bs1A:
14.45
4uh0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4uh2A-5bs1A:
undetectable
4uh2B-5bs1A:
undetectable		 4uh2A-5bs1A:
14.45
4uh2B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH2_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 4uh2A-5bs1A:
undetectable
4uh2B-5bs1A:
undetectable		 4uh2A-5bs1A:
14.45
4uh2B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UH5_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 4uh5A-5bs1A:
undetectable
4uh5B-5bs1A:
undetectable		 4uh5A-5bs1A:
15.97
4uh5B-5bs1A:
15.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4UIL_H_QI9H1223_0
(FAB 314.1)		 5gru DIABODY PROTEIN
DIABODY PROTEIN
(Homo
sapiens;
Mus
musculus) 		5 / 12 PHE L 103
GLN H 223
GLN H 224
GLY H 225
LEU H 228
 PHE  L 103 ( 1.3A)
GLN  H 223 ( 0.6A)
GLN  H 224 ( 0.6A)
GLY  H 225 ( 0.0A)
LEU  H 228 ( 0.6A)
 0.62A 4uilH-5gruL:
18.6
4uilL-5gruL:
19.3		 4uilH-5gruL:
35.54
4uilL-5gruL:
66.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPM_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4upmA-5bs1A:
undetectable
4upmB-5bs1A:
undetectable		 4upmA-5bs1A:
14.45
4upmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPM_B_H4BB760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4upmA-5bs1A:
undetectable
4upmB-5bs1A:
undetectable		 4upmA-5bs1A:
14.45
4upmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPN_A_H4BA760_1
(NEURONAL NITRIC
OXIDE SYNTHASE)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 4upnA-5bs1A:
undetectable
4upnB-5bs1A:
undetectable		 4upnA-5bs1A:
14.45
4upnB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4upoA-5bs1A:
undetectable
4upoB-5bs1A:
undetectable		 4upoA-5bs1A:
14.45
4upoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UPP_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 4uppA-5bs1A:
undetectable
4uppB-5bs1A:
undetectable		 4uppA-5bs1A:
14.45
4uppB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3U_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4v3uA-5bs1A:
undetectable
4v3uB-5bs1A:
undetectable		 4v3uA-5bs1A:
16.01
4v3uB-5bs1A:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3V_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4v3vA-5bs1A:
undetectable
4v3vB-5bs1A:
undetectable		 4v3vA-5bs1A:
14.45
4v3vB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3V_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 4v3vA-5bs1A:
undetectable
4v3vB-5bs1A:
undetectable		 4v3vA-5bs1A:
14.45
4v3vB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V3Y_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 4v3yA-5bs1A:
undetectable
4v3yB-5bs1A:
undetectable		 4v3yA-5bs1A:
14.45
4v3yB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 3ogk CORONATINE-INSENSITI
VE PROTEIN 1
JAZ1 INCOMPLETE
DEGRON PEPTIDE
(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		3 / 3 ASP B 407
ARG B 121
ARG Q 206
 None
PO4  B1103 (-3.0A)
PO4  B1102 (-3.1A)
 0.78A 4x5iA-3ogkB:
undetectable		 4x5iA-3ogkB:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		5 / 12 ILE A  66
ALA A  33
THR A  51
ILE A 103
ILE A  67
 ILE  A  66 ( 0.4A)
ALA  A  33 ( 0.0A)
THR  A  51 ( 0.8A)
ILE  A 103 ( 0.7A)
ILE  A  67 ( 0.7A)
 1.08A 4x5jA-2j5bA:
undetectable		 4x5jA-2j5bA:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_A_AG2A506_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 6 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqeA-1ct9A:
2.1		 4xqeA-1ct9A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQE_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 6 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqeB-1ct9A:
2.3		 4xqeB-1ct9A:
21.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 8 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.04A 4xqgA-1ct9A:
2.4		 4xqgA-1ct9A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 1ct9 ASPARAGINE
SYNTHETASE B
(Escherichia
coli) 		4 / 8 ARG A 387
ASP A 384
VAL A 320
ASP A 319
 None
IUM  A1103 (-2.7A)
None
None
 1.03A 4xqgB-1ct9A:
1.6		 4xqgB-1ct9A:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 12 VAL A 689
ALA A 700
LYS A 702
CYH A 748
ASP A 828
PHE A 829
 ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
SR  A2103 (-2.6A)
None
 0.81A 4xv2A-3lj0A:
18.2		 4xv2A-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 700
LYS A 702
CYH A 748
ASP A 828
PHE A 829
 ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 (-4.2A)
SR  A2103 (-2.6A)
None
 0.68A 4xv2B-3lj0A:
23.8		 4xv2B-3lj0A:
24.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4pcw FILAGGRIN
(Homo
sapiens) 		5 / 12 LEU A  80
ILE A  10
PHE A  40
LEU A  60
HIS A  59
 2PE  A 103 (-4.3A)
None
None
2PE  A 103 ( 4.9A)
None
 0.97A 4ze2A-4pcwA:
undetectable		 4ze2A-4pcwA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJ8_A_SUVA2001_2
(HUMAN OX1R FUSION
PROTEIN TO P.ABYSII
GLYCOGEN SYNTHASE)		 4zlr BRAIN TUMOR PROTEIN
(Drosophila
melanogaster) 		4 / 6 ILE A 984
HIS A 977
ILE A 961
VAL A1007
 None
SO4  A1103 (-3.9A)
U  C   4 ( 4.6A)
None
 0.92A 4zj8A-4zlrA:
undetectable		 4zj8A-4zlrA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJL_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		5 / 12 SER A 173
PHE A 405
PHE A 206
LEU A 467
ASP A  92
 None
None
SWA  A1103 (-4.4A)
None
SWA  A1103 ( 2.4A)
 1.31A 4zjlD-1hwwA:
0.0		 4zjlD-1hwwA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZC_E_ACTE406_0
(PROTON-GATED ION
CHANNEL)		 5n2g DNA POLYMERASE
(Vaccinia
virus) 		4 / 5 ILE A 327
ILE A   6
TYR A 258
GLU A 476
 MES  A1103 ( 4.9A)
None
None
None
 1.26A 4zzcE-5n2gA:
2.5		 4zzcE-5n2gA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAA_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 9 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.50A 5aaaA-3lj0A:
23.5		 5aaaA-3lj0A:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAB_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 10 LEU A 680
VAL A 689
ALA A 700
LYS A 702
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 (-2.7A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.84A 5aabA-3lj0A:
23.1		 5aabA-3lj0A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AAC_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		6 / 10 LEU A 680
VAL A 689
ALA A 700
LEU A 745
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
ADP  A2101 ( 4.4A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.43A 5aacA-3lj0A:
23.1		 5aacA-3lj0A:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD4_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD4_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5ad4A-5bs1A:
undetectable
5ad4B-5bs1A:
undetectable		 5ad4A-5bs1A:
14.45
5ad4B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5ad6A-5bs1A:
undetectable
5ad6B-5bs1A:
undetectable		 5ad6A-5bs1A:
14.45
5ad6B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AD9_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.35A 5ad9A-5bs1A:
undetectable
5ad9B-5bs1A:
undetectable		 5ad9A-5bs1A:
14.45
5ad9B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADA_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adaA-5bs1A:
undetectable
5adaB-5bs1A:
undetectable		 5adaA-5bs1A:
14.45
5adaB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADA_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5adaA-5bs1A:
undetectable
5adaB-5bs1A:
undetectable		 5adaA-5bs1A:
14.45
5adaB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADC_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adcA-5bs1A:
undetectable
5adcB-5bs1A:
undetectable		 5adcA-5bs1A:
14.45
5adcB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADF_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adfA-5bs1A:
undetectable
5adfB-5bs1A:
undetectable		 5adfA-5bs1A:
15.97
5adfB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADG_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5adgA-5bs1A:
undetectable
5adgB-5bs1A:
undetectable		 5adgA-5bs1A:
15.97
5adgB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADG_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5adgA-5bs1A:
undetectable
5adgB-5bs1A:
undetectable		 5adgA-5bs1A:
15.97
5adgB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADI_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5adiA-5bs1A:
undetectable
5adiB-5bs1A:
undetectable		 5adiA-5bs1A:
15.97
5adiB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGK_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5agkA-5bs1A:
undetectable
5agkB-5bs1A:
undetectable		 5agkA-5bs1A:
14.45
5agkB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGL_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5aglA-5bs1A:
undetectable
5aglB-5bs1A:
undetectable		 5aglA-5bs1A:
14.45
5aglB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGL_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5aglA-5bs1A:
undetectable
5aglB-5bs1A:
undetectable		 5aglA-5bs1A:
14.45
5aglB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGM_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5agmA-5bs1A:
undetectable
5agmB-5bs1A:
undetectable		 5agmA-5bs1A:
14.45
5agmB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5agoA-5bs1A:
undetectable
5agoB-5bs1A:
undetectable		 5agoA-5bs1A:
14.45
5agoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5AGO_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5agoA-5bs1A:
undetectable
5agoB-5bs1A:
undetectable		 5agoA-5bs1A:
14.45
5agoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 GLY B2055
ASP B2079
ILE B2127
LEU B2063
LEU B2145
 ATP  B 103 ( 4.1A)
ATP  B 103 (-2.8A)
ATP  B 103 (-3.9A)
None
ATP  B 103 ( 4.9A)
 1.10A 5bw4A-2nvuB:
5.2		 5bw4A-2nvuB:
15.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DWK_C_ACTC207_0
(DIACYLGLYCEROL
KINASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 5 GLU A 350
ALA A 348
GLU A 384
GLU A 406
 ILE  A1024 (-3.1A)
SO4  A1027 (-4.3A)
ILE  A1024 ( 4.1A)
ZN  A1035 ( 2.2A)
 1.35A 5dwkC-6bv2A:
undetectable		 5dwkC-6bv2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E4D_B_BEZB202_0
(HYDROXYNITRILE LYASE)		 1jo0 HYPOTHETICAL PROTEIN
HI1333
(Haemophilus
influenzae) 		4 / 7 VAL A  50
LEU A  42
VAL A  68
THR A  71
 None
None
GOL  A 103 (-4.5A)
None
 1.04A 5e4dA-1jo0A:
undetectable
5e4dB-1jo0A:
undetectable		 5e4dA-1jo0A:
17.59
5e4dB-1jo0A:
17.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		3 / 3 ASP A 472
VAL A 166
LEU A 467
 SWA  A1103 (-2.9A)
None
None
 0.64A 5e5jB-1hwwA:
0.0		 5e5jB-1hwwA:
7.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 2j5b TYROSYL-TRNA
SYNTHETASE
(Acanthamoeba
polyphaga
mimivirus) 		5 / 12 ILE A  66
ALA A  33
THR A  51
ILE A 103
ILE A  67
 ILE  A  66 ( 0.4A)
ALA  A  33 ( 0.0A)
THR  A  51 ( 0.8A)
ILE  A 103 ( 0.7A)
ILE  A  67 ( 0.7A)
 1.10A 5e8qA-2j5bA:
undetectable		 5e8qA-2j5bA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_1
(DIHYDROFOLATE
REDUCTASE)		 3ogk CORONATINE-INSENSITI
VE PROTEIN 1
JAZ1 INCOMPLETE
DEGRON PEPTIDE
(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		3 / 3 ASP B 407
ARG B 121
ARG Q 206
 None
PO4  B1103 (-3.0A)
PO4  B1102 (-3.1A)
 0.68A 5eajB-3ogkB:
undetectable		 5eajB-3ogkB:
13.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEU_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 9 HIS A 209
ALA A 240
THR A 103
THR A  63
ILE A  32
 HIS  A 209 ( 1.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.41A 5eeuA-2hk0A:
undetectable
5eeuB-2hk0A:
undetectable		 5eeuA-2hk0A:
13.40
5eeuB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEV_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5eevA-2hk0A:
undetectable
5eevB-2hk0A:
undetectable		 5eevA-2hk0A:
13.40
5eevB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEW_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5eewA-2hk0A:
undetectable
5eewB-2hk0A:
undetectable		 5eewA-2hk0A:
13.40
5eewB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEX_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.08A 5eexA-2hk0A:
undetectable
5eexB-2hk0A:
undetectable		 5eexA-2hk0A:
13.40
5eexB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEY_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.08A 5eeyA-2hk0A:
undetectable
5eeyB-2hk0A:
undetectable		 5eeyA-2hk0A:
13.40
5eeyB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EEZ_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.08A 5eezA-2hk0A:
undetectable
5eezB-2hk0A:
undetectable		 5eezA-2hk0A:
13.40
5eezB-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF0_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5ef0A-2hk0A:
undetectable
5ef0B-2hk0A:
undetectable		 5ef0A-2hk0A:
13.40
5ef0B-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF1_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5ef1A-2hk0A:
undetectable
5ef1B-2hk0A:
undetectable		 5ef1A-2hk0A:
13.40
5ef1B-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF2_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5ef2A-2hk0A:
undetectable
5ef2B-2hk0A:
undetectable		 5ef2A-2hk0A:
13.40
5ef2B-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EF3_A_TRPA101_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2hk0 D-PSICOSE
3-EPIMERASE
(Agrobacterium
tumefaciens) 		5 / 10 GLY A 105
ALA A 240
THR A 103
THR A  63
ILE A  32
 GLY  A 105 ( 0.0A)
ALA  A 240 ( 0.0A)
THR  A 103 ( 0.8A)
THR  A  63 ( 0.8A)
ILE  A  32 ( 0.6A)
 1.09A 5ef3A-2hk0A:
undetectable
5ef3B-2hk0A:
undetectable		 5ef3A-2hk0A:
13.40
5ef3B-2hk0A:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FCT_A_C2FA402_0
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 11 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.15A 5fctA-2nvuB:
undetectable		 5fctA-2nvuB:
16.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FSA_A_X2NA590_1
(CYP51 VARIANT1)		 4pcw FILAGGRIN
(Homo
sapiens) 		5 / 12 LEU A  80
ILE A  10
PHE A  40
LEU A  60
HIS A  59
 2PE  A 103 (-4.3A)
None
None
2PE  A 103 ( 4.9A)
None
 1.04A 5fsaA-4pcwA:
undetectable		 5fsaA-4pcwA:
11.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fvrA-5bs1A:
undetectable
5fvrB-5bs1A:
undetectable		 5fvrA-5bs1A:
14.45
5fvrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.26A 5fvrA-5bs1A:
undetectable
5fvrB-5bs1A:
undetectable		 5fvrA-5bs1A:
14.45
5fvrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVW_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fvwA-5bs1A:
undetectable
5fvwB-5bs1A:
undetectable		 5fvwA-5bs1A:
15.97
5fvwB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FVW_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5fvwA-5bs1A:
undetectable
5fvwB-5bs1A:
undetectable		 5fvwA-5bs1A:
15.97
5fvwB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FW0_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5fw0A-5bs1A:
undetectable
5fw0B-5bs1A:
undetectable		 5fw0A-5bs1A:
14.45
5fw0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FW0_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5fw0A-5bs1A:
undetectable
5fw0B-5bs1A:
undetectable		 5fw0A-5bs1A:
14.45
5fw0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5G0O_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 5g0oA-5bs1A:
undetectable
5g0oB-5bs1A:
undetectable		 5g0oA-5bs1A:
14.45
5g0oB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 4pj6 LEUCYL-CYSTINYL
AMINOPEPTIDASE
(Homo
sapiens) 		3 / 3 ILE A 320
MET A 188
ASP A 322
 None
None
NAG  A1103 (-3.1A)
 0.81A 5h2uA-4pj6A:
undetectable		 5h2uA-4pj6A:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IKR_A_ID8A601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4mwt LYSOSOMAL PROTECTIVE
PROTEIN
(Homo
sapiens) 		5 / 12 VAL A 121
GLY A 103
ALA A 102
SER A 100
LEU A  34
 VAL  A 121 ( 0.6A)
GLY  A 103 ( 0.0A)
ALA  A 102 ( 0.0A)
SER  A 100 ( 0.0A)
LEU  A  34 ( 0.6A)
 1.17A 5ikrA-4mwtA:
undetectable		 5ikrA-4mwtA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		 6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT E
(Flavobacterium
johnsoniae) 		4 / 8 GLU E  36
PRO E  32
GLY B  72
PRO B  73
 None
None
E87  B1103 (-4.0A)
None
 1.07A 5kf8A-6btmE:
undetectable		 5kf8A-6btmE:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KKZ_A_ASCA1004_0
(CYTOCHROME B
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 4a3q ALANINE RACEMASE 1
(Staphylococcus
aureus) 		4 / 6 HIS A  29
ARG A 219
GLN A 202
HIS A 200
 SO4  A1387 (-4.4A)
PLP  A1039 (-3.7A)
None
None
 1.42A 5kkzA-4a3qA:
undetectable
5kkzG-4a3qA:
undetectable		 5kkzA-4a3qA:
21.91
5kkzG-4a3qA:
19.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 0.97A 5l4iA-4w65A:
undetectable		 5l4iA-4w65A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4I_B_6J3B201_0
(TRANSTHYRETIN)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		4 / 6 LEU A 109
ALA A 101
LEU A 103
SER A  63
 LEU  A 109 ( 0.6A)
ALA  A 101 ( 0.0A)
LEU  A 103 ( 0.6A)
SER  A  63 ( 0.0A)
 0.95A 5l4iB-4w65A:
undetectable		 5l4iB-4w65A:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L6E_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		4 / 6 ASP A 648
ASP A 400
ARG A 432
GLN A 395
 None
None
None
ADP  A1103 (-3.4A)
 1.17A 5l6eA-5b7iA:
undetectable		 5l6eA-5b7iA:
12.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 12 ALA A   6
LEU A   4
ILE A   3
LEU A 137
ILE A 103
 ALA  A   6 ( 0.0A)
LEU  A   4 ( 0.6A)
ILE  A   3 ( 0.7A)
LEU  A 137 ( 0.6A)
ILE  A 103 ( 0.7A)
 1.05A 5m24A-3ab7A:
undetectable		 5m24A-3ab7A:
24.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_A_ACTA802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 6 HIS A 471
ASP A 204
HIS A  90
TRP A  95
 ZN  A1102 ( 3.3A)
SWA  A1103 ( 3.0A)
ZN  A1102 ( 3.3A)
SWA  A1103 (-3.6A)
 1.40A 5m45A-1hwwA:
0.7		 5m45A-1hwwA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_D_ACTD802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 6 HIS A 471
ASP A 204
HIS A  90
TRP A  95
 ZN  A1102 ( 3.3A)
SWA  A1103 ( 3.0A)
ZN  A1102 ( 3.3A)
SWA  A1103 (-3.6A)
 1.40A 5m45D-1hwwA:
0.7		 5m45D-1hwwA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_G_ACTG802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 6 HIS A 471
ASP A 204
HIS A  90
TRP A  95
 ZN  A1102 ( 3.3A)
SWA  A1103 ( 3.0A)
ZN  A1102 ( 3.3A)
SWA  A1103 (-3.6A)
 1.40A 5m45G-1hwwA:
undetectable		 5m45G-1hwwA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M45_J_ACTJ802_0
(ACETONE CARBOXYLASE
ALPHA SUBUNIT)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 6 HIS A 471
ASP A 204
HIS A  90
TRP A  95
 ZN  A1102 ( 3.3A)
SWA  A1103 ( 3.0A)
ZN  A1102 ( 3.3A)
SWA  A1103 (-3.6A)
 1.40A 5m45J-1hwwA:
undetectable		 5m45J-1hwwA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		5 / 12 ASP A 204
HIS A 470
THR A 480
GLY A 877
LEU A 878
 SWA  A1103 ( 3.0A)
None
None
None
None
 1.21A 5m50B-1hwwA:
undetectable		 5m50B-1hwwA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		5 / 12 ASP A 204
HIS A 470
THR A 480
GLY A 877
LEU A 878
 SWA  A1103 ( 3.0A)
None
None
None
None
 1.22A 5m50E-1hwwA:
undetectable		 5m50E-1hwwA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_2
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		4 / 5 LEU A 719
CYH A 748
LEU A 804
ASP A 828
 None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.90A 5mafA-3lj0A:
25.7		 5mafA-3lj0A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MEJ_A_CUA504_0
(LACCASE 2)		 2mq1 E3 UBIQUITIN-PROTEIN
LIGASE HAKAI
(Mus
musculus) 		4 / 4 HIS A  80
CYH A  61
ILE A  81
HIS A  85
 ZN  A 103 (-3.1A)
ZN  A 103 (-2.3A)
None
ZN  A 103 (-2.9A)
 1.50A 5mejA-2mq1A:
undetectable		 5mejA-2mq1A:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NJV_D_SAMD301_0
(NS5)		 5nvj -
(-) 		5 / 12 GLY A  39
GLY A  43
TRP A  41
GLU A  21
ILE A  30
 None
None
None
CIT  A 103 (-4.0A)
None
 1.02A 5njvD-5nvjA:
undetectable		 5njvD-5nvjA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5NN4_A_SC2A1016_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE
(Homo
sapiens) 		4 / 4 HIS A 432
GLY A 435
ARG A 437
THR A 834
 GOL  A1038 (-3.6A)
GOL  A1038 ( 4.0A)
GOL  A1038 (-3.5A)
GOL  A1038 (-3.3A)
 0.13A 5nn4A-5nn8A:
66.7		 5nn4A-5nn8A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NY7_A_NCAA303_0
(AMIDASE)		 3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE
(Corynebacterium
glutamicum) 		4 / 6 GLY A 334
PRO A 335
THR A 103
SER A 327
 GLY  A 334 ( 0.0A)
PRO  A 335 ( 1.1A)
THR  A 103 ( 0.8A)
SER  A 327 ( 0.0A)
 1.13A 5ny7A-3r64A:
undetectable		 5ny7A-3r64A:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_A_TESA503_1
(-)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 9 LEU A 285
VAL A 483
LEU A 461
LEU A 226
ALA A 478
 None
None
None
FAD  A1031 (-3.8A)
None
 1.37A 5og9A-1h7wA:
0.3		 5og9A-1h7wA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OWR_A_1N1A401_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		5 / 8 ALA A 700
GLU A 715
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 (-3.5A)
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.58A 5owrA-3lj0A:
20.8		 5owrA-3lj0A:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PAH_A_LDPA600_1
(PHENYLALANINE
4-MONOOXYGENASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 4 HIS A 387
HIS A 383
TYR A 472
GLU A 406
 ZN  A1035 (-3.2A)
ZN  A1035 (-3.2A)
SO4  A1032 ( 4.1A)
ZN  A1035 ( 2.2A)
 1.40A 5pahA-6bv2A:
undetectable		 5pahA-6bv2A:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5unrA-5bs1A:
undetectable
5unrB-5bs1A:
undetectable		 5unrA-5bs1A:
14.45
5unrB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNU_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 5unuA-5bs1A:
undetectable
5unuB-5bs1A:
undetectable		 5unuA-5bs1A:
14.45
5unuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.37A 5unuA-5bs1A:
undetectable
5unuB-5bs1A:
undetectable		 5unuA-5bs1A:
14.45
5unuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.34A 5unvA-5bs1A:
undetectable
5unvB-5bs1A:
undetectable		 5unvA-5bs1A:
14.45
5unvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5unvA-5bs1A:
undetectable
5unvB-5bs1A:
undetectable		 5unvA-5bs1A:
14.45
5unvB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5unwA-5bs1A:
undetectable
5unwB-5bs1A:
undetectable		 5unwA-5bs1A:
14.45
5unwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.36A 5unwA-5bs1A:
undetectable
5unwB-5bs1A:
undetectable		 5unwA-5bs1A:
14.45
5unwB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5unyA-5bs1A:
undetectable
5unyB-5bs1A:
undetectable		 5unyA-5bs1A:
14.45
5unyB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UNY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5unyA-5bs1A:
undetectable
5unyB-5bs1A:
undetectable		 5unyA-5bs1A:
14.45
5unyB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.38A 5uo0A-5bs1A:
undetectable
5uo0B-5bs1A:
undetectable		 5uo0A-5bs1A:
14.45
5uo0B-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5uo1A-5bs1A:
undetectable
5uo1B-5bs1A:
undetectable		 5uo1A-5bs1A:
15.97
5uo1B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.27A 5uo1A-5bs1A:
undetectable
5uo1B-5bs1A:
undetectable		 5uo1A-5bs1A:
15.97
5uo1B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5uo3A-5bs1A:
undetectable
5uo3B-5bs1A:
undetectable		 5uo3A-5bs1A:
15.97
5uo3B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO4_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5uo4A-5bs1A:
undetectable
5uo4B-5bs1A:
undetectable		 5uo4A-5bs1A:
15.97
5uo4B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5uo5A-5bs1A:
undetectable
5uo5B-5bs1A:
undetectable		 5uo5A-5bs1A:
15.97
5uo5B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO5_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5uo5A-5bs1A:
undetectable
5uo5B-5bs1A:
undetectable		 5uo5A-5bs1A:
15.97
5uo5B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO6_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 5uo6A-5bs1A:
undetectable
5uo6B-5bs1A:
undetectable		 5uo6A-5bs1A:
15.97
5uo6B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UO7_B_H4BB803_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5uo7A-5bs1A:
undetectable
5uo7B-5bs1A:
undetectable		 5uo7A-5bs1A:
15.97
5uo7B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA309_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		 3p9w HUMAN VEGF
(Homo
sapiens) 		4 / 4 LEU B   4
GLY B 104
SER B 103
SER B 102
 LEU  B   4 ( 0.6A)
GLY  B 104 ( 0.0A)
SER  B 103 ( 0.0A)
SER  B 102 ( 0.0A)
 1.18A 5uunA-3p9wB:
undetectable		 5uunA-3p9wB:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 6 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 ILE  A 183 ( 0.6A)
ILE  A 131 ( 0.7A)
LEU  A 103 ( 0.6A)
HIS  A  46 ( 1.0A)
 1.01A 5vkqA-5cdnA:
3.2
5vkqB-5cdnA:
3.1		 5vkqA-5cdnA:
14.36
5vkqB-5cdnA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_A_PCFA1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 7 LEU A 122
LEU A 521
ILE A 200
GLY A 196
ILE A 503
 None
None
None
FAD  A1031 (-3.4A)
None
 1.38A 5vkqA-1h7wA:
undetectable
5vkqB-1h7wA:
undetectable		 5vkqA-1h7wA:
21.18
5vkqB-1h7wA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VKQ_D_PCFD1807_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		 5cdn DNA GYRASE SUBUNIT A
(Staphylococcus
aureus) 		4 / 6 ILE A 183
ILE A 131
LEU A 103
HIS A  46
 ILE  A 183 ( 0.6A)
ILE  A 131 ( 0.7A)
LEU  A 103 ( 0.6A)
HIS  A  46 ( 1.0A)
 0.99A 5vkqA-5cdnA:
3.2
5vkqD-5cdnA:
3.2		 5vkqA-5cdnA:
14.36
5vkqD-5cdnA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUI_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vuiA-5bs1A:
undetectable
5vuiB-5bs1A:
undetectable		 5vuiA-5bs1A:
14.45
5vuiB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUI_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vuiA-5bs1A:
undetectable
5vuiB-5bs1A:
undetectable		 5vuiA-5bs1A:
14.45
5vuiB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUJ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.33A 5vujA-5bs1A:
undetectable
5vujB-5bs1A:
undetectable		 5vujA-5bs1A:
14.45
5vujB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUJ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.34A 5vujA-5bs1A:
undetectable
5vujB-5bs1A:
undetectable		 5vujA-5bs1A:
14.45
5vujB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUK_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vukA-5bs1A:
undetectable
5vukB-5bs1A:
undetectable		 5vukA-5bs1A:
14.45
5vukB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUK_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vukA-5bs1A:
undetectable
5vukB-5bs1A:
undetectable		 5vukA-5bs1A:
14.45
5vukB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vulA-5bs1A:
undetectable
5vulB-5bs1A:
undetectable		 5vulA-5bs1A:
14.45
5vulB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUL_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vulA-5bs1A:
undetectable
5vulB-5bs1A:
undetectable		 5vulA-5bs1A:
14.45
5vulB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vumA-5bs1A:
undetectable
5vumB-5bs1A:
undetectable		 5vumA-5bs1A:
14.45
5vumB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUM_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vumA-5bs1A:
undetectable
5vumB-5bs1A:
undetectable		 5vumA-5bs1A:
14.45
5vumB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUO_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.31A 5vuoA-5bs1A:
undetectable
5vuoB-5bs1A:
undetectable		 5vuoA-5bs1A:
14.45
5vuoB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUP_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vupA-5bs1A:
undetectable
5vupB-5bs1A:
undetectable		 5vupA-5bs1A:
14.45
5vupB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vuqA-5bs1A:
undetectable
5vuqB-5bs1A:
undetectable		 5vuqA-5bs1A:
14.45
5vuqB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUQ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuqA-5bs1A:
undetectable
5vuqB-5bs1A:
undetectable		 5vuqA-5bs1A:
14.45
5vuqB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUR_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vurA-5bs1A:
undetectable
5vurB-5bs1A:
undetectable		 5vurA-5bs1A:
14.45
5vurB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUS_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.31A 5vusA-5bs1A:
undetectable
5vusB-5bs1A:
undetectable		 5vusA-5bs1A:
14.45
5vusB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUS_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vusA-5bs1A:
undetectable
5vusB-5bs1A:
undetectable		 5vusA-5bs1A:
14.45
5vusB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuuA-5bs1A:
undetectable
5vuuB-5bs1A:
undetectable		 5vuuA-5bs1A:
14.45
5vuuB-5bs1A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUV_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vuvA-5bs1A:
undetectable
5vuvB-5bs1A:
undetectable		 5vuvA-5bs1A:
15.97
5vuvB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUV_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 5vuvA-5bs1A:
undetectable
5vuvB-5bs1A:
undetectable		 5vuvA-5bs1A:
15.97
5vuvB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUW_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.25A 5vuwA-5bs1A:
undetectable
5vuwB-5bs1A:
undetectable		 5vuwA-5bs1A:
15.97
5vuwB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUX_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vuxA-5bs1A:
undetectable
5vuxB-5bs1A:
undetectable		 5vuxA-5bs1A:
15.97
5vuxB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUY_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vuyA-5bs1A:
undetectable
5vuyB-5bs1A:
undetectable		 5vuyA-5bs1A:
15.97
5vuyB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUY_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.25A 5vuyA-5bs1A:
undetectable
5vuyB-5bs1A:
undetectable		 5vuyA-5bs1A:
15.97
5vuyB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUZ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vuzA-5bs1A:
undetectable
5vuzB-5bs1A:
undetectable		 5vuzA-5bs1A:
15.97
5vuzB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VUZ_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5vuzA-5bs1A:
undetectable
5vuzB-5bs1A:
undetectable		 5vuzA-5bs1A:
15.97
5vuzB-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV0_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.28A 5vv0A-5bs1A:
undetectable
5vv0B-5bs1A:
undetectable		 5vv0A-5bs1A:
15.97
5vv0B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV0_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.29A 5vv0A-5bs1A:
undetectable
5vv0B-5bs1A:
undetectable		 5vv0A-5bs1A:
15.97
5vv0B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 5vv1A-5bs1A:
undetectable
5vv1B-5bs1A:
undetectable		 5vv1A-5bs1A:
15.97
5vv1B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV2_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vv2A-5bs1A:
undetectable
5vv2B-5bs1A:
undetectable		 5vv2A-5bs1A:
15.97
5vv2B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 5vv3A-5bs1A:
undetectable
5vv3B-5bs1A:
undetectable		 5vv3A-5bs1A:
15.97
5vv3B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV3_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5vv3A-5bs1A:
undetectable
5vv3B-5bs1A:
undetectable		 5vv3A-5bs1A:
15.97
5vv3B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV4_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.28A 5vv4A-5bs1A:
undetectable
5vv4B-5bs1A:
undetectable		 5vv4A-5bs1A:
15.97
5vv4B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV5_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 5vv5A-5bs1A:
undetectable
5vv5B-5bs1A:
undetectable		 5vv5A-5bs1A:
15.97
5vv5B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VV5_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 5vv5A-5bs1A:
undetectable
5vv5B-5bs1A:
undetectable		 5vv5A-5bs1A:
15.97
5vv5B-5bs1A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 4dqk BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE
(Bacillus
megaterium) 		4 / 7 VAL A 979
VAL A 902
GLY A 936
TYR A 975
 None
None
None
SO4  A1103 (-4.7A)
 0.98A 5x80C-4dqkA:
undetectable
5x80D-4dqkA:
undetectable		 5x80C-4dqkA:
19.08
5x80D-4dqkA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		7 / 12 LEU A 680
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.86A 5y7zB-3lj0A:
17.2		 5y7zB-3lj0A:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		 3lj0 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1
(Saccharomyces
cerevisiae) 		8 / 12 LEU A 680
VAL A 689
ALA A 700
GLU A 715
LEU A 747
CYH A 748
LEU A 804
ASP A 828
 ADP  A2101 ( 4.1A)
ADP  A2101 (-4.5A)
ADP  A2101 (-3.5A)
None
None
ADP  A2101 (-4.2A)
ADP  A2101 (-4.4A)
SR  A2103 (-2.6A)
 0.78A 5y80A-3lj0A:
24.1		 5y80A-3lj0A:
12.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF0_A_SAMA505_0
(CARNOSINE
N-METHYLTRANSFERASE)		 4ui9 ANAPHASE-PROMOTING
COMPLEX SUBUNIT 11
ANAPHASE-PROMOTING
COMPLEX SUBUNIT 2
(Homo
sapiens;
Homo
sapiens) 		5 / 12 GLY B  32
GLY B  41
ASN B  31
SER N 597
CYH B  34
 None
None
None
None
ZN  B 103 (-3.1A)
 1.31A 5yf0A-4ui9B:
undetectable		 5yf0A-4ui9B:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZW4_A_SAMA302_0
(PUTATIVE
O-METHYLTRANSFERASE
YRRM)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		5 / 12 GLY A 794
ASN A 736
ALA A 792
ALA A 774
ALA A 777
 FMN  A1030 (-3.5A)
FMN  A1030 (-3.6A)
None
None
None
 1.05A 5zw4A-1h7wA:
undetectable		 5zw4A-1h7wA:
11.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_A_ACRA609_0
(ALPHA-AMYLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 GLY A 407
TRP A 403
ASP A 468
TYR A 472
 None
None
None
SO4  A1032 ( 4.1A)
 1.41A 6ag0A-6bv2A:
undetectable		 6ag0A-6bv2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		5 / 6 GLY A  77
ASP A  79
GLY A 150
PRO A 151
GLY A 153
 None
LMT  A1034 (-2.7A)
None
None
None
 1.49A 6ag0C-5v8kA:
undetectable		 6ag0C-5v8kA:
10.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AG0_C_ACRC609_0
(ALPHA-AMYLASE)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 7 GLY A 407
TRP A 403
ASP A 468
TYR A 472
 None
None
None
SO4  A1032 ( 4.1A)
 1.38A 6ag0C-6bv2A:
undetectable		 6ag0C-6bv2A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUQ_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 6 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6auqA-5bs1A:
undetectable
6auqB-5bs1A:
undetectable		 6auqA-5bs1A:
18.18
6auqB-5bs1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUT_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.30A 6autA-5bs1A:
undetectable
6autB-5bs1A:
undetectable		 6autA-5bs1A:
18.18
6autB-5bs1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUU_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.32A 6auuA-5bs1A:
undetectable
6auuB-5bs1A:
undetectable		 6auuA-5bs1A:
18.18
6auuB-5bs1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AUW_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.30A 6auwA-5bs1A:
undetectable
6auwB-5bs1A:
undetectable		 6auwA-5bs1A:
18.18
6auwB-5bs1A:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV1_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.32A 6av1A-5bs1A:
undetectable
6av1B-5bs1A:
undetectable		 6av1A-5bs1A:
20.49
6av1B-5bs1A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV1_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 TRP A 104
GLU A 103
ARG A 123
VAL A 108
 TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
 1.33A 6av1A-5bs1A:
undetectable
6av1B-5bs1A:
undetectable		 6av1A-5bs1A:
20.49
6av1B-5bs1A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AV3_A_H4BA802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5bs1 CRRBCX-IIA
(Chlamydomonas
reinhardtii) 		4 / 7 ARG A 123
VAL A 108
TRP A 104
GLU A 103
 ARG  A 123 ( 0.6A)
VAL  A 108 ( 0.6A)
TRP  A 104 ( 0.5A)
GLU  A 103 ( 0.6A)
 1.29A 6av3A-5bs1A:
undetectable
6av3B-5bs1A:
undetectable		 6av3A-5bs1A:
20.49
6av3B-5bs1A:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_B_ESTB602_1
(ESTROGEN RECEPTOR)		 5n4l CERULOPLASMIN
(Rattus
norvegicus) 		5 / 10 ALA A 277
LEU A 316
MET A 315
ILE A  26
LEU A 328
 None
None
None
None
CU  A1103 (-4.4A)
 1.33A 6cbzB-5n4lA:
undetectable		 6cbzB-5n4lA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_A_EY4A502_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 ALA A 101
THR A 102
TYR A 103
GLN A 296
 ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
GLN  A 296 ( 0.6A)
 0.68A 6cduA-1omoA:
0.0
6cduE-1omoA:
0.0		 6cduA-1omoA:
22.70
6cduE-1omoA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 8 GLN A 296
ALA A 101
THR A 102
TYR A 103
 GLN  A 296 ( 0.6A)
ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
 0.74A 6cduD-1omoA:
undetectable
6cduE-1omoA:
undetectable		 6cduD-1omoA:
22.70
6cduE-1omoA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CDU_H_EY4H500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		4 / 7 GLN A 296
ALA A 101
THR A 102
TYR A 103
 GLN  A 296 ( 0.6A)
ALA  A 101 ( 0.0A)
THR  A 102 ( 0.8A)
TYR  A 103 ( 1.3A)
 0.67A 6cduH-1omoA:
undetectable
6cduI-1omoA:
undetectable		 6cduH-1omoA:
22.70
6cduI-1omoA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DCH_A_ACTA401_0
(SCOE PROTEIN)		 1hww ALPHA-MANNOSIDASE II
(Drosophila
melanogaster) 		4 / 5 THR A 477
HIS A 470
ASP A  92
HIS A 471
 SWA  A1103 ( 4.5A)
None
SWA  A1103 ( 2.4A)
ZN  A1102 ( 3.3A)
 1.37A 6dchA-1hwwA:
undetectable		 6dchA-1hwwA:
16.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DRX_A_H8GA1201_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		5 / 12 LEU A 320
ALA A 409
ASN A 392
VAL A 355
TYR A 357
 None
ZN  A1035 ( 4.0A)
None
None
None
 1.32A 6drxA-6bv2A:
undetectable		 6drxA-6bv2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DYO_A_LDPA901_0
(EBONY)		 1h7w DIHYDROPYRIMIDINE
DEHYDROGENASE
(Sus
scrofa) 		4 / 5 GLU A 244
VAL A 241
LEU A 236
THR A 489
 None
None
None
FAD  A1031 (-4.2A)
 1.45A 6dyoA-1h7wA:
0.3		 6dyoA-1h7wA:
5.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_B_DAHB123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5uiw C-C CHEMOKINE
RECEPTOR TYPE
5,RUBREDOXIN CHIMERA
(Clostridium
pasteurianum;
Homo
sapiens) 		5 / 10 PHE A  78
LEU A  81
THR A  82
GLY A 106
ILE A 110
 None
OLC  A1103 ( 4.6A)
None
None
None
 1.11A 6ebpB-5uiwA:
2.0		 6ebpB-5uiwA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_C_DAHC123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5uiw C-C CHEMOKINE
RECEPTOR TYPE
5,RUBREDOXIN CHIMERA
(Clostridium
pasteurianum;
Homo
sapiens) 		5 / 10 PHE A  78
LEU A  81
THR A  82
GLY A 106
ILE A 110
 None
OLC  A1103 ( 4.6A)
None
None
None
 1.11A 6ebpC-5uiwA:
undetectable		 6ebpC-5uiwA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		 5uiw C-C CHEMOKINE
RECEPTOR TYPE
5,RUBREDOXIN CHIMERA
(Clostridium
pasteurianum;
Homo
sapiens) 		5 / 10 PHE A  78
LEU A  81
THR A  82
GLY A 106
ILE A 110
 None
OLC  A1103 ( 4.6A)
None
None
None
 1.13A 6ebpD-5uiwA:
2.1		 6ebpD-5uiwA:
11.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EKU_A_ZMRA901_2
(SIALIDASE)		 4iug BETA-GALACTOSIDASE A
(Aspergillus
oryzae) 		4 / 6 ASP A 803
GLN A 153
ASN A 705
SER A 718
 CD  A1103 (-2.3A)
None
None
None
 0.93A 6ekuA-4iugA:
undetectable		 6ekuA-4iugA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		 6c7y TYROSINE-PROTEIN
KINASE JAK1
(Homo
sapiens) 		4 / 6 LEU A1024
VAL A1037
ARG A1041
SER A1043
 None
PTR  A1035 ( 3.1A)
None
None
 0.82A 6f6jA-6c7yA:
undetectable		 6f6jA-6c7yA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNF_C_QPSC602_1
(-)		 5h1u TRANSCRIPTION
INTERMEDIARY FACTOR
1-ALPHA
(Homo
sapiens) 		5 / 10 THR B 947
LEU B 945
SER B 957
VAL B 831
CYH B 852
 None
None
None
None
ZN  B1103 (-2.3A)
 1.45A 6gnfC-5h1uB:
undetectable		 6gnfC-5h1uB:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GNG_A_QPSA601_1
(-)		 5b7i CRISPR-ASSOCIATED
NUCLEASE/HELICASE
CAS3 SUBTYPE
I-F/YPEST
(Pseudomonas
aeruginosa) 		5 / 12 GLY A 451
VAL A 574
GLY A 886
ASN A 430
GLN A 847
 None
None
None
None
ADP  A1103 (-3.7A)
 1.11A 6gngA-5b7iA:
undetectable		 6gngA-5b7iA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HLP_A_GAWA1501_1
(SUBSTANCE-P
RECEPTOR,SUBSTANCE-P
RECEPTOR)		 6bv2 AMINOPEPTIDASE N
(Sus
scrofa) 		4 / 5 ASN A 243
GLN A 206
TYR A 472
MET A 270
 None
ILE  A1024 (-3.2A)
SO4  A1032 ( 4.1A)
None
 0.78A 6hlpA-6bv2A:
1.3		 6hlpA-6bv2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 4jx6 PYRUVATE CARBOXYLASE
(Rhizobium
etli) 		4 / 7 HIS A 745
THR A 543
ARG A 737
ASP A 768
 None
None
None
MG  A1103 (-3.3A)
 1.32A 6mn4E-4jx6A:
undetectable		 6mn4E-4jx6A:
19.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 5ouo PERFORIN-LIKE
PROTEIN 1
(Toxoplasma
gondii) 		4 / 7 THR A 958
ARG A1060
HIS A1023
ASP A 939
 None
CL  A1103 (-3.6A)
None
None
 0.92A 6mn4E-5ouoA:
undetectable		 6mn4E-5ouoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 2f3c THROMBIN INHIBITOR
INFESTIN
(Triatoma
infestans) 		3 / 3 THR I  28
GLU I  45
ASN I  25
 SO4  I 103 (-3.2A)
None
None
 0.89A 6nj9K-2f3cI:
undetectable		 6nj9K-2f3cI:
8.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_A_BEZA701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 11 GLY B2057
LEU B2064
ALA B2108
PHE B2094
ALA B2104
 ATP  B 103 (-4.9A)
None
None
None
None
 1.18A 6qgbA-2nvuB:
0.0		 6qgbA-2nvuB:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6QGB_E_BEZE701_0
(MONO(2-HYDROXYETHYL)
TEREPHTHALATE
HYDROLASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 11 GLY B2057
LEU B2064
ALA B2108
PHE B2094
ALA B2104
 ATP  B 103 (-4.9A)
None
None
None
None
 1.19A 6qgbE-2nvuB:
undetectable		 6qgbE-2nvuB:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6R2E_A_FFOA403_0
(THYMIDYLATE SYNTHASE)		 2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
(Homo
sapiens) 		5 / 12 ILE B2192
LEU B2145
LEU B2158
GLY B2156
TYR B2135
 None
ATP  B 103 ( 4.9A)
None
None
None
 1.16A 6r2eA-2nvuB:
undetectable		 6r2eA-2nvuB:
17.42