SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '175'


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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  94
LEU A  61
ALA A  70
LEU A  73
ILE A 168
 None
CAA  A1751 (-3.9A)
None
None
None
 1.16A 1crbA-2gd2A:
undetectable		 1crbA-2gd2A:
17.70
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.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ALA A 137
SER A 183
SER A 185
THR A 187
 5AD  A1746 ( 3.9A)
None
EDO  A1754 (-3.2A)
None
 0.69A 1dvxA-2xijA:
undetectable		 1dvxA-2xijA:
10.68
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.
1E9Y_B_HAEB800_1
(UREASE SUBUNIT BETA)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 5 HIS A  77
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.85A 1e9yB-2ogjA:
18.4		 1e9yB-2ogjA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FWE_C_HAEC989_1
(UREASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 6 HIS A  77
HIS A  79
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 418 (-3.4A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.82A 1fweC-2ogjA:
18.9		 1fweC-2ogjA:
23.68
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei) 		4 / 7 VAL A  11
SER A  20
ASN A  26
ASP A  18
 IOD  A 175 ( 4.6A)
None
IOD  A 184 (-3.7A)
None
 1.23A 1hwiC-3s6lA:
undetectable		 1hwiC-3s6lA:
19.16
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 3s6l HEP_HAG FAMILY
(Burkholderia
pseudomallei) 		4 / 7 VAL A  11
SER A  20
ASN A  26
ASP A  18
 IOD  A 175 ( 4.6A)
None
IOD  A 184 (-3.7A)
None
 1.23A 1hwiD-3s6lA:
undetectable		 1hwiD-3s6lA:
19.16
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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 9 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.99A 1hxwA-4cw5A:
undetectable		 1hxwA-4cw5A:
12.47
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.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		 2clb DPS-LIKE PROTEIN
(Sulfolobus
solfataricus) 		4 / 8 LEU A  26
GLU A 156
ALA A 149
THR A 145
 None
ZN  A1175 ( 2.3A)
None
None
 0.82A 1ie4B-2clbA:
undetectable
1ie4D-2clbA:
undetectable		 1ie4B-2clbA:
18.95
1ie4D-2clbA:
18.95
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.
1ITU_A_CILA451_1
(RENAL DIPEPTIDASE)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		5 / 12 GLU A 425
HIS A 553
HIS A 377
ASN A 519
ASP A 453
 ZN  A1752 (-2.5A)
ZN  A1752 (-3.3A)
ZN  A1751 (-3.3A)
ZN  A1751 (-3.7A)
ZN  A1751 (-2.0A)
 1.48A 1ituA-1z8lA:
undetectable		 1ituA-1z8lA:
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 3kuu PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
PURE
(Yersinia
pestis) 		5 / 9 THR A  27
GLY A 127
GLY A  76
SER A 108
GLY A  74
 SO4  A 175 ( 4.2A)
SO4  A 175 (-3.5A)
None
None
None
 1.33A 1jhoA-3kuuA:
5.0		 1jhoA-3kuuA:
23.45
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.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 5 GLU A 425
ARG A 534
ASP A 465
THR A 538
 ZN  A1752 (-2.5A)
None
None
None
 0.98A 1k4tA-1z8lA:
0.0		 1k4tA-1z8lA:
22.56
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.
1K4T_D_TTCD990_1
(DNA TOPOISOMERASE I)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 5 GLU A 415
ARG A 524
ASP A 455
THR A 528
 ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
 1.04A 1k4tA-3fedA:
undetectable		 1k4tA-3fedA:
23.65
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.96A 1k6cB-3lp6A:
undetectable		 1k6cB-3lp6A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KIA_B_SAMB1293_0
(GLYCINE
N-METHYLTRANSFERASE)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		5 / 12 ILE A 456
GLY A 385
VAL A 562
GLY A 391
HIS A 377
 None
None
None
None
ZN  A1751 (-3.3A)
 1.15A 1kiaB-1z8lA:
undetectable		 1kiaB-1z8lA:
17.69
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.
1KXH_A_ACRA598_1
(ALPHA-AMYLASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 ALA B 121
VAL B 124
GLY B 123
ALA B  83
ILE B  56
 None
CYC  B 175 ( 4.7A)
None
CYC  B 175 (-3.4A)
None
 1.23A 1kxhA-1liaB:
undetectable		 1kxhA-1liaB:
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.
1LIN_A_TFPA156_1
(CALMODULIN)		 2j4h DEOXYCYTIDINE
TRIPHOSPHATE
DEAMINASE
(Escherichia
coli) 		5 / 8 LEU A 107
ILE A 135
GLU A  95
VAL A  97
ILE A 127
 None
YYY  A1175 (-4.6A)
None
None
YYY  A1175 ( 4.2A)
 1.30A 1linA-2j4hA:
undetectable		 1linA-2j4hA:
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.
1MUI_B_AB1B100_2
(PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.84A 1muiB-4cw5A:
undetectable		 1muiB-4cw5A:
12.69
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.
1MXG_A_ACRA443_1
(ALPHA AMYLASE)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		4 / 8 SER A  99
LEU A 136
ASP A 120
GLU A 175
 SER  A  99 ( 0.0A)
LEU  A 136 ( 0.6A)
ASP  A 120 ( 0.5A)
GLU  A 175 ( 0.6A)
 1.21A 1mxgA-2qc5A:
undetectable		 1mxgA-2qc5A:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_1
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		3 / 3 THR A 461
GLU A 457
ASP A 387
 None
None
ZN  A1751 ( 2.6A)
 0.80A 1nt2A-1z8lA:
undetectable		 1nt2A-1z8lA:
15.00
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 8 TYR A 542
TYR A 224
GLU A 547
HIS A 367
 BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
 1.11A 1nx9A-3fedA:
3.2		 1nx9A-3fedA:
21.34
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.
1NX9_B_AICB5002_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 8 TYR A 542
TYR A 224
GLU A 547
HIS A 367
 BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
 1.12A 1nx9B-3fedA:
3.4		 1nx9B-3fedA:
21.34
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.
1NX9_C_AICC5003_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 8 TYR A 542
TYR A 224
GLU A 547
HIS A 367
 BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
 1.11A 1nx9C-3fedA:
3.7		 1nx9C-3fedA:
21.34
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.
1NX9_D_AICD5004_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 8 TYR A 542
TYR A 224
GLU A 547
HIS A 367
 BIX  A   1 (-4.7A)
None
None
ZN  A1752 ( 3.3A)
 1.13A 1nx9D-3fedA:
2.9		 1nx9D-3fedA:
21.34
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.
1OS2_A_HAEA874_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 1os2A-1y13A:
undetectable		 1os2A-1y13A:
16.22
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.
1OS2_D_HAED574_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.93A 1os2D-1y13A:
undetectable		 1os2D-1y13A:
16.22
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.
1R15_C_NCAC339_0
(ADP-RIBOSYL CYCLASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		3 / 3 GLU A 617
ASN A 618
TRP A 625
 LMR  A1760 ( 4.7A)
NI  A1759 ( 4.7A)
LMR  A1760 (-4.2A)
 1.25A 1r15C-5apaA:
undetectable		 1r15C-5apaA:
22.59
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.
1R15_D_NCAD349_0
(ADP-RIBOSYL CYCLASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		3 / 3 GLU A 617
ASN A 618
TRP A 625
 LMR  A1760 ( 4.7A)
NI  A1759 ( 4.7A)
LMR  A1760 (-4.2A)
 1.23A 1r15D-5apaA:
undetectable		 1r15D-5apaA:
22.59
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.
1R15_E_NCAE359_0
(ADP-RIBOSYL CYCLASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		3 / 3 GLU A 617
ASN A 618
TRP A 625
 LMR  A1760 ( 4.7A)
NI  A1759 ( 4.7A)
LMR  A1760 (-4.2A)
 1.25A 1r15E-5apaA:
undetectable		 1r15E-5apaA:
22.59
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.
1R15_F_NCAF369_0
(ADP-RIBOSYL CYCLASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		3 / 3 GLU A 617
ASN A 618
TRP A 625
 LMR  A1760 ( 4.7A)
NI  A1759 ( 4.7A)
LMR  A1760 (-4.2A)
 1.22A 1r15F-5apaA:
undetectable		 1r15F-5apaA:
22.59
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.
1RL8_A_RITA9001_1
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.89A 1rl8A-4cw5A:
undetectable		 1rl8A-4cw5A:
12.69
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.
1RL8_A_RITA9001_2
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.88A 1rl8B-4cw5A:
undetectable		 1rl8B-4cw5A:
12.69
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.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 5 GLU A 425
ARG A 534
ASP A 465
THR A 538
 ZN  A1752 (-2.5A)
None
None
None
 1.06A 1rr8C-1z8lA:
0.0		 1rr8C-1z8lA:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RR8_A_TTCA100_1
(DNA TOPOISOMERASE I)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 5 GLU A 415
ARG A 524
ASP A 455
THR A 528
 ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
 1.13A 1rr8C-3fedA:
undetectable		 1rr8C-3fedA:
24.14
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.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 5 GLU A 425
ARG A 534
ASP A 465
THR A 538
 ZN  A1752 (-2.5A)
None
None
None
 1.03A 1rrjA-1z8lA:
0.0		 1rrjA-1z8lA:
22.59
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.
1RRJ_B_TTCB990_1
(DNA TOPOISOMERASE I)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 5 GLU A 415
ARG A 524
ASP A 455
THR A 528
 ZN  A1751 ( 1.9A)
BIX  A   1 ( 3.1A)
None
None
 1.09A 1rrjA-3fedA:
0.0		 1rrjA-3fedA:
24.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.98A 1sdtB-3lp6A:
undetectable		 1sdtB-3lp6A:
21.56
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.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.91A 1sdtB-4cw5A:
undetectable		 1sdtB-4cw5A:
12.69
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.
1SG9_A_SAMA301_1
(HEMK PROTEIN)		 3kuu PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
PURE
(Yersinia
pestis) 		4 / 4 THR A  27
GLY A 105
ASP A 107
ALA A 101
 SO4  A 175 ( 4.2A)
None
None
SO4  A 176 (-3.5A)
 0.79A 1sg9A-3kuuA:
4.1		 1sg9A-3kuuA:
19.00
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.
1T3R_A_017A1200_1
(PROTEASE RETROPEPSIN)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 10 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.92A 1t3rA-1liaB:
undetectable		 1t3rA-1liaB:
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.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 10 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.99A 1t7iA-1liaB:
undetectable		 1t7iA-1liaB:
14.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T7I_A_017A200_1
(POL POLYPROTEIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 10 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.03A 1t7iA-3lp6A:
undetectable		 1t7iA-3lp6A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOF_A_PNNA1312_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		5 / 11 HIS A 679
HIS A 725
VAL A 727
ARG A 735
SER A 668
 NI  A1759 ( 3.2A)
NI  A1759 ( 3.3A)
LMR  A1760 ( 4.9A)
LMR  A1760 (-2.9A)
LMR  A1760 (-2.7A)
 1.23A 1uofA-5apaA:
7.2		 1uofA-5apaA:
21.17
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.
1UTT_A_HAEA1265_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 1uttA-1y13A:
undetectable		 1uttA-1y13A:
18.38
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.
1UTZ_A_HAEA1267_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 1utzA-1y13A:
undetectable		 1utzA-1y13A:
18.38
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.
1UTZ_B_HAEB1266_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.93A 1utzB-1y13A:
undetectable		 1utzB-1y13A:
18.38
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		3 / 3 ASP A  65
GLU A  31
TYR A 139
 None
None
SO4  A 175 (-4.3A)
 0.81A 1wsvA-2prdA:
undetectable		 1wsvA-2prdA:
19.95
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.
1WSV_A_THHA3001_1
(AMINOMETHYLTRANSFERA
SE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ASP A 139
GLU A 117
TYR A 123
 None
EDO  A1753 (-2.8A)
None
 0.76A 1wsvA-2xijA:
undetectable		 1wsvA-2xijA:
21.39
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.
1Y93_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 6 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.92A 1y93A-1y13A:
undetectable		 1y93A-1y13A:
18.38
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.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		4 / 5 LEU A 223
LEU A 238
LEU A 239
LEU A 253
 None
None
KCX  A 175 ( 4.4A)
None
 1.11A 1yajD-4nasA:
undetectable		 1yajD-4nasA:
22.75
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.88A 2aquA-4cw5A:
undetectable		 2aquA-4cw5A:
12.69
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.
2AQU_B_DR7B300_2
(HIV-1 PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 11 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.86A 2aquB-4cw5A:
undetectable		 2aquB-4cw5A:
12.69
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.
2AZQ_A_PCFA954_0
(CATECHOL
1,2-DIOXYGENASE)		 2clb DPS-LIKE PROTEIN
(Sulfolobus
solfataricus) 		5 / 9 LEU A  26
GLU A 133
ALA A  33
GLU A 156
LEU A 153
 None
None
None
ZN  A1175 ( 2.3A)
None
 1.34A 2azqA-2clbA:
undetectable		 2azqA-2clbA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2B60_B_RITB100_1
(GAG-POL POLYPROTEIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.87A 2b60A-4cw5A:
undetectable		 2b60A-4cw5A:
12.92
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.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 11 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.03A 2b60B-3lp6A:
undetectable		 2b60B-3lp6A:
17.53
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.
2B60_B_RITB100_2
(GAG-POL POLYPROTEIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 11 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.87A 2b60B-4cw5A:
undetectable		 2b60B-4cw5A:
12.92
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.
2B7Z_B_MK1B200_1
(HIV-1 PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.99A 2b7zA-3lp6A:
undetectable		 2b7zA-3lp6A:
18.29
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.97A 2b7zB-3lp6A:
undetectable		 2b7zB-3lp6A:
18.29
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.
2BM9_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		3 / 3 LYS A 176
ASP A 105
ASN A 134
 KCX  A 175 ( 3.5A)
None
KCX  A 175 ( 4.1A)
 0.93A 2bm9A-2ogjA:
undetectable		 2bm9A-2ogjA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_A_H4BA1003_1
(HYPOTHETICAL PROTEIN
PH0634)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		6 / 10 HIS A  29
HIS A  41
HIS A  43
THR A 127
GLU A 128
GLU A 161
 ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.3A)
ZN  A 174 ( 3.4A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.86A 2dttA-1y13A:
13.0
2dttC-1y13A:
12.7		 2dttA-1y13A:
22.65
2dttC-1y13A:
22.65
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.
2DTT_B_H4BB1001_1
(HYPOTHETICAL PROTEIN
PH0634)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		5 / 10 GLU A  38
HIS A  41
THR A 127
GLU A 128
GLU A 161
 BIO  A 175 (-2.6A)
ZN  A 174 ( 3.3A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.84A 2dttA-1y13A:
13.0
2dttB-1y13A:
14.0		 2dttA-1y13A:
22.65
2dttB-1y13A:
22.65
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.
2DTT_D_H4BD1006_1
(HYPOTHETICAL PROTEIN
PH0634)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		6 / 10 HIS A  29
HIS A  41
HIS A  43
THR A 127
GLU A 128
GLU A 161
 ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.3A)
ZN  A 174 ( 3.4A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.71A 2dttD-1y13A:
12.7
2dttF-1y13A:
12.6		 2dttD-1y13A:
22.65
2dttF-1y13A:
22.65
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.
2DTT_E_H4BE1004_1
(HYPOTHETICAL PROTEIN
PH0634)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		6 / 11 HIS A  29
HIS A  41
HIS A  43
THR A 127
GLU A 128
GLU A 161
 ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.3A)
ZN  A 174 ( 3.4A)
BIO  A 175 ( 4.7A)
BIO  A 175 (-2.8A)
BIO  A 175 (-3.1A)
 0.95A 2dttD-1y13A:
12.7
2dttE-1y13A:
14.0		 2dttD-1y13A:
22.65
2dttE-1y13A:
22.65
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 12 LEU A 208
VAL A 213
GLY A 212
LEU A 171
ALA A 175
 LEU  A 208 ( 0.6A)
VAL  A 213 ( 0.6A)
GLY  A 212 ( 0.0A)
LEU  A 171 ( 0.6A)
ALA  A 175 ( 0.0A)
 0.88A 2egvA-3ab7A:
3.0		 2egvA-3ab7A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 12 LEU A 208
VAL A 213
GLY A 212
LEU A 171
ALA A 175
 LEU  A 208 ( 0.6A)
VAL  A 213 ( 0.6A)
GLY  A 212 ( 0.0A)
LEU  A 171 ( 0.6A)
ALA  A 175 ( 0.0A)
 0.91A 2egvB-3ab7A:
2.5		 2egvB-3ab7A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HU6_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.91A 2hu6A-1y13A:
undetectable		 2hu6A-1y13A:
18.38
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.
2JIH_A_097A1001_1
(ADAMTS-1)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		5 / 9 THR A  39
HIS A  41
GLU A  38
HIS A  29
HIS A  43
 None
ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 1.23A 2jihA-1y13A:
undetectable		 2jihA-1y13A:
15.61
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.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		5 / 9 THR A  68
LEU A 551
TYR A 556
THR A 548
ALA A 375
 None
None
NAG  A1758 (-3.4A)
None
None
 1.26A 2npnA-3fedA:
undetectable		 2npnA-3fedA:
15.54
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.
2OW9_B_HAEB502_1
(COLLAGENASE 3)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.97A 2ow9B-1y13A:
undetectable		 2ow9B-1y13A:
18.97
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.
2OZR_C_HAEC3001_1
(COLLAGENASE 3)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.97A 2ozrC-1y13A:
undetectable		 2ozrC-1y13A:
18.97
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.
2OZR_D_HAED3002_1
(COLLAGENASE 3)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.98A 2ozrD-1y13A:
undetectable		 2ozrD-1y13A:
18.97
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.
2OZR_E_HAEE3003_1
(COLLAGENASE 3)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 2ozrE-1y13A:
undetectable		 2ozrE-1y13A:
18.97
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.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  73
GLY A  66
ALA A  59
ASP A  60
VAL A  11
ILE A  36
 None
None
None
CAA  A1751 ( 4.7A)
None
None
 1.39A 2q63A-2gd2A:
undetectable		 2q63A-2gd2A:
14.97
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.00A 2qhcB-3lp6A:
undetectable		 2qhcB-3lp6A:
20.51
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.
2QHC_B_AB1B9001_2
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.96A 2qhcB-4cw5A:
undetectable		 2qhcB-4cw5A:
12.69
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.
2R5Q_D_1UND900_2
(PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.93A 2r5qD-4cw5A:
undetectable		 2r5qD-4cw5A:
12.47
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.
2RKF_A_AB1A501_1
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.90A 2rkfA-4cw5A:
undetectable		 2rkfA-4cw5A:
12.47
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.
2RKG_B_AB1B501_1
(PROTEASE RETROPEPSIN)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.87A 2rkgA-4cw5A:
undetectable		 2rkgA-4cw5A:
12.67
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.
2V0Z_O_C41O1327_2
(RENIN)		 4c1o BETA-XYLOSIDASE
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 TYR A 573
SER A 648
THR A 649
THR A 633
 GOL  A1753 (-3.9A)
GOL  A1751 (-2.8A)
GOL  A1751 (-3.9A)
None
 1.21A 2v0zO-4c1oA:
undetectable		 2v0zO-4c1oA:
19.28
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.
2V3K_A_SAMA1254_0
(ESSENTIAL FOR
MITOTIC GROWTH 1)		 3ab7 PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0350
(Thermus
thermophilus) 		5 / 10 LEU A 208
VAL A 213
GLY A 212
LEU A 171
ALA A 175
 LEU  A 208 ( 0.6A)
VAL  A 213 ( 0.6A)
GLY  A 212 ( 0.0A)
LEU  A 171 ( 0.6A)
ALA  A 175 ( 0.0A)
 0.98A 2v3kA-3ab7A:
undetectable		 2v3kA-3ab7A:
21.69
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.
2V7B_A_BEZA1529_0
(BENZOATE-COENZYME A
LIGASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
 FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
 1.14A 2v7bA-4cw5A:
undetectable		 2v7bA-4cw5A:
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.
2V7B_B_BEZB1529_0
(BENZOATE-COENZYME A
LIGASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
 FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
 1.13A 2v7bB-4cw5A:
undetectable		 2v7bB-4cw5A:
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.
2VXA_G_RBFG200_1
(DODECIN)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		4 / 8 ARG A 626
GLN A 629
TYR A 617
THR A 615
 None
None
ATP  A1752 (-3.5A)
None
 1.06A 2vxaF-2j9lA:
undetectable
2vxaG-2j9lA:
undetectable
2vxaI-2j9lA:
undetectable		 2vxaF-2j9lA:
18.92
2vxaG-2j9lA:
18.92
2vxaI-2j9lA:
18.92
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.
2WEK_A_DIFA1373_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		 3h51 PUTATIVE
CALCIUM/CALMODULIN
DEPENDENT PROTEIN
KINASE II
ASSOCIATION DOMAIN
(Xanthomonas
campestris) 		4 / 8 PHE A  91
VAL A  59
PHE A  44
ASN A  48
 UNL  A 175 ( 4.0A)
None
None
None
 1.08A 2wekA-3h51A:
undetectable		 2wekA-3h51A:
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.
2XF3_B_J01B600_1
(ORF12)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		5 / 11 SER A 509
TYR A 542
GLY A 508
PHE A 199
ARG A 200
 ZN  A1752 ( 4.9A)
BIX  A   1 (-4.7A)
BIX  A   1 (-3.4A)
BIX  A   1 ( 4.8A)
BIX  A   1 (-2.7A)
 1.22A 2xf3B-3fedA:
undetectable		 2xf3B-3fedA:
21.67
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		5 / 8 LEU A  61
ILE A  36
LEU A  13
THR A  89
LEU A  92
 CAA  A1751 (-3.9A)
None
None
None
CAA  A1751 (-4.2A)
 1.22A 2xfhA-2gd2A:
undetectable		 2xfhA-2gd2A:
22.94
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.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		5 / 8 LEU A  61
ILE A  36
LEU A  13
THR A  89
LEU A  94
 CAA  A1751 (-3.9A)
None
None
None
None
 1.44A 2xfhA-2gd2A:
undetectable		 2xfhA-2gd2A:
22.94
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.
2XH9_B_J01B1437_1
(ORF12)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		5 / 10 SER A 509
TYR A 542
GLY A 508
PHE A 199
ARG A 200
 ZN  A1752 ( 4.9A)
BIX  A   1 (-4.7A)
BIX  A   1 (-3.4A)
BIX  A   1 ( 4.8A)
BIX  A   1 (-2.7A)
 1.23A 2xh9B-3fedA:
undetectable		 2xh9B-3fedA:
21.67
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.
2XZ5_B_ACHB1210_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		4 / 7 TYR A 139
TYR A  51
TYR A  55
ILE A 132
 SO4  A 175 (-4.3A)
None
None
None
 1.33A 2xz5B-2prdA:
undetectable
2xz5E-2prdA:
undetectable		 2xz5B-2prdA:
25.91
2xz5E-2prdA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_C_CHDC1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.16A 2y69C-1gm5A:
2.9
2y69J-1gm5A:
0.0		 2y69C-1gm5A:
15.64
2y69J-1gm5A:
7.77
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.
2Y69_P_CHDP1265_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.25A 2y69P-1gm5A:
3.0
2y69W-1gm5A:
0.2		 2y69P-1gm5A:
15.64
2y69W-1gm5A:
7.77
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.
2YJA_B_ESTB1550_1
(ESTROGEN RECEPTOR)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 ALA A 317
LEU A 175
LEU A 176
MET A 122
ILE A 125
 ALA  A 317 ( 0.0A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
ILE  A 125 ( 0.6A)
 1.14A 2yjaB-3sl5A:
undetectable		 2yjaB-3sl5A:
22.13
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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		4 / 7 LEU A 264
VAL A 370
THR A 175
VAL A 229
 LEU  A 264 ( 0.6A)
VAL  A 370 ( 0.6A)
THR  A 175 ( 0.9A)
VAL  A 229 ( 0.6A)
 1.02A 2zaxA-1wojA:
undetectable		 2zaxA-1wojA:
18.69
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		4 / 7 GLU A  90
ARG A  91
ARG A 110
GLU A  82
 None
CAA  A1751 (-2.2A)
None
None
 0.99A 2zt7A-2gd2A:
undetectable		 2zt7A-2gd2A:
19.83
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		5 / 11 HIS A 690
ILE A 739
HIS A 679
ASN A 618
ASP A 616
 LMR  A1760 (-3.8A)
LMR  A1760 (-4.0A)
NI  A1759 ( 3.2A)
NI  A1759 ( 4.7A)
None
 1.16A 2zweA-5apaA:
undetectable
2zweB-5apaA:
undetectable		 2zweA-5apaA:
21.88
2zweB-5apaA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		 2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT
(Gracilaria
chilensis;
Gracilaria
chilensis) 		5 / 12 ILE A   9
ALA A  12
GLU A  23
LEU A  24
ILE B  44
 None
None
None
PEB  B1175 ( 4.6A)
None
 1.32A 2zzaA-2bv8A:
undetectable		 2zzaA-2bv8A:
20.90
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		 2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT
(Gracilaria
chilensis;
Gracilaria
chilensis) 		5 / 11 ILE A   9
ALA A  12
GLU A  23
LEU A  24
ILE B  44
 None
None
None
PEB  B1175 ( 4.6A)
None
 1.34A 2zzaB-2bv8A:
undetectable		 2zzaB-2bv8A:
20.90
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 6 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.07A 3ablP-1gm5A:
2.9
3ablW-1gm5A:
0.0		 3ablP-1gm5A:
15.64
3ablW-1gm5A:
5.92
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.
3ABM_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.17A 3abmC-1gm5A:
3.0
3abmJ-1gm5A:
0.0		 3abmC-1gm5A:
15.64
3abmJ-1gm5A:
5.92
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.
3ABM_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.18A 3abmP-1gm5A:
2.9
3abmW-1gm5A:
0.0		 3abmP-1gm5A:
15.64
3abmW-1gm5A:
5.92
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.
3AG3_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.09A 3ag3C-1gm5A:
2.9
3ag3J-1gm5A:
0.0		 3ag3C-1gm5A:
15.64
3ag3J-1gm5A:
5.92
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.01A 3d1zB-3lp6A:
undetectable		 3d1zB-3lp6A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E9X_A_NIMA1_1
(LACTOTRANSFERRIN')		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 4 GLU A 414
GLY A 420
THR A 422
GLU A 423
 BIX  A   1 ( 2.7A)
None
None
CA  A1755 (-2.2A)
 1.01A 3e9xA-3fedA:
undetectable		 3e9xA-3fedA:
20.11
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.
3EEY_A_SAMA300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.04A 3eeyA-4cw5A:
undetectable		 3eeyA-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_B_SAMB300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.05A 3eeyB-4cw5A:
undetectable		 3eeyB-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 GLY A 271
ASN A 270
ILE A 171
GLY A 167
THR A 280
 175  A 211 ( 4.6A)
175  A 211 ( 4.0A)
None
None
None
 1.15A 3eeyC-1t6pA:
undetectable		 3eeyC-1t6pA:
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.
3EEY_C_SAMC300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.06A 3eeyC-4cw5A:
undetectable		 3eeyC-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.04A 3eeyD-4cw5A:
undetectable		 3eeyD-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 GLY A 271
ASN A 270
ILE A 171
GLY A 167
THR A 280
 175  A 211 ( 4.6A)
175  A 211 ( 4.0A)
None
None
None
 1.15A 3eeyE-1t6pA:
undetectable		 3eeyE-1t6pA:
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.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.03A 3eeyE-4cw5A:
undetectable		 3eeyE-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.03A 3eeyF-4cw5A:
undetectable		 3eeyF-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_H_SAMH300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.02A 3eeyH-4cw5A:
undetectable		 3eeyH-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_I_SAMI300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.04A 3eeyI-4cw5A:
undetectable		 3eeyI-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 THR A 356
GLY A 358
ILE A 361
GLY A 365
ASN A 384
 None
None
None
None
FMN  A1753 (-2.8A)
 1.02A 3eeyJ-4cw5A:
undetectable		 3eeyJ-4cw5A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EKQ_A_ROCA100_1
(PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.89A 3ekqA-4cw5A:
undetectable		 3ekqA-4cw5A:
12.47
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.
3EKT_B_017B200_1
(PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.07A 3ektA-3lp6A:
undetectable		 3ektA-3lp6A:
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.
3EKY_A_DR7A100_1
(PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 10 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.99A 3ekyA-3lp6A:
undetectable		 3ekyA-3lp6A:
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.
3EKY_A_DR7A100_1
(PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.90A 3ekyA-4cw5A:
undetectable		 3ekyA-4cw5A:
12.69
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.
3EL5_B_1UNB201_1
(PROTEASE)		 4umf 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE KDSC
(Moraxella
catarrhalis) 		5 / 10 ASP A 110
VAL A 127
ILE A  21
GLY A 147
THR A 143
 MG  A1175 (-2.8A)
None
None
None
None
 1.10A 3el5A-4umfA:
undetectable		 3el5A-4umfA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL9_A_DR7A100_2
(PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 10 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.99A 3el9B-3lp6A:
undetectable		 3el9B-3lp6A:
17.71
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.
3ETE_C_H3PC552_1
(GLUTAMATE
DEHYDROGENASE)		 1all ALLOPHYCOCYANIN
(Arthrospira
platensis) 		3 / 3 TYR A  91
TYR A 168
GLY A 111
 CYC  A 175 (-4.2A)
None
CYC  A 175 ( 3.9A)
 0.69A 3eteB-1allA:
undetectable
3eteD-1allA:
undetectable
3eteF-1allA:
undetectable		 3eteB-1allA:
16.48
3eteD-1allA:
16.48
3eteF-1allA:
16.48
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.
3FL9_G_TOPG200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3gle PILIN
(Streptococcus
pyogenes) 		6 / 12 LEU A 198
LEU A 175
VAL A 177
ILE A 212
PHE A 235
THR A 287
 LEU  A 198 ( 0.6A)
LEU  A 175 ( 0.5A)
VAL  A 177 ( 0.6A)
ILE  A 212 ( 0.7A)
PHE  A 235 ( 1.3A)
THR  A 287 ( 0.8A)
 1.42A 3fl9G-3gleA:
undetectable		 3fl9G-3gleA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_H_TOPH200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		 3gle PILIN
(Streptococcus
pyogenes) 		5 / 9 LEU A 175
VAL A 177
ILE A 212
PHE A 235
THR A 287
 LEU  A 175 ( 0.5A)
VAL  A 177 ( 0.6A)
ILE  A 212 ( 0.7A)
PHE  A 235 ( 1.3A)
THR  A 287 ( 0.8A)
 1.28A 3fl9H-3gleA:
undetectable		 3fl9H-3gleA:
17.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		4 / 7 LEU A 264
VAL A 370
THR A 175
VAL A 229
 LEU  A 264 ( 0.6A)
VAL  A 370 ( 0.6A)
THR  A 175 ( 0.9A)
VAL  A 229 ( 0.6A)
 1.01A 3fwgB-1wojA:
undetectable		 3fwgB-1wojA:
17.94
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.
3FWI_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		 1woj 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE
(Homo
sapiens) 		4 / 7 LEU A 264
VAL A 370
THR A 175
VAL A 229
 LEU  A 264 ( 0.6A)
VAL  A 370 ( 0.6A)
THR  A 175 ( 0.9A)
VAL  A 229 ( 0.6A)
 1.04A 3fwiA-1wojA:
undetectable		 3fwiA-1wojA:
17.94
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.
3GGU_B_017B201_2
(PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.02A 3gguB-3lp6A:
undetectable		 3gguB-3lp6A:
18.75
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 2rci TYPE-2BA CYTOLYTIC
DELTA-ENDOTOXIN
(Bacillus
thuringiensis) 		5 / 10 VAL A 121
ILE A 175
ILE A  46
ILE A 118
THR A  93
 VAL  A 121 ( 0.6A)
ILE  A 175 ( 0.6A)
ILE  A  46 ( 0.6A)
ILE  A 118 ( 0.7A)
THR  A  93 ( 0.8A)
 1.25A 3hbbD-2rciA:
undetectable		 3hbbD-2rciA:
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		5 / 9 THR A  39
HIS A  41
GLU A  38
HIS A  29
HIS A  43
 None
ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 1.21A 3hy7A-1y13A:
undetectable		 3hy7A-1y13A:
22.77
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.
3HY7_B_097B801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		5 / 9 THR A  39
HIS A  41
GLU A  38
HIS A  29
HIS A  43
 None
ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 1.24A 3hy7B-1y13A:
undetectable		 3hy7B-1y13A:
22.77
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.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		 2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT
(Gracilaria
chilensis) 		5 / 12 ILE A   9
ALA A  12
GLU A  23
LEU A  24
ILE B  44
 None
None
None
PEB  B1175 ( 4.6A)
None
 1.30A 3ia4B-2bv8A:
undetectable		 3ia4B-2bv8A:
21.47
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.
3IA4_C_MTXC164_2
(DIHYDROFOLATE
REDUCTASE)		 4non FERROUS IRON UPTAKE
TRANSPORTER PROTEIN
B
(Streptococcus
thermophilus) 		4 / 4 ILE A 201
ARG A 175
ILE A 180
THR A  99
 ILE  A 201 ( 0.7A)
ARG  A 175 ( 0.6A)
ILE  A 180 ( 0.6A)
THR  A  99 ( 0.8A)
 1.01A 3ia4C-4nonA:
2.1		 3ia4C-4nonA:
25.78
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.
3J7Z_A_ERYA9000_0
(23S RRNA
50S RIBOSOMAL
PROTEIN L22
ERMCL NASCENT CHAIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		3 / 3 LYS A 406
ILE A 147
PHE A 148
 None
KCX  A 175 ( 3.9A)
None
 0.94A 3j7zS-4nasA:
undetectable
3j7za-4nasA:
undetectable		 3j7zS-4nasA:
14.82
3j7za-4nasA:
3.79
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.
3JB2_A_SAMA1101_0
(STRUCTURAL PROTEIN
VP3)		 2qc5 STREPTOGRAMIN B
LACTONASE
(Staphylococcus
cohnii) 		5 / 12 ASN A 138
SER A 141
GLU A 175
PRO A 137
GLU A 217
 ASN  A 138 ( 0.6A)
SER  A 141 ( 0.0A)
GLU  A 175 ( 0.6A)
PRO  A 137 ( 1.1A)
GLU  A 217 ( 0.6A)
 1.46A 3jb2A-2qc5A:
undetectable		 3jb2A-2qc5A:
14.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		 1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 SER A 131
GLY A 132
THR A 133
 SO4  A1759 ( 4.2A)
SO4  A1759 (-3.1A)
SO4  A1759 (-3.8A)
 0.22A 3k9wA-1hybA:
15.6		 3k9wA-1hybA:
22.33
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.
3KEC_A_HAEA272_1
(COLLAGENASE 3)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 3kecA-1y13A:
undetectable		 3kecA-1y13A:
18.23
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.
3KMO_B_EAAB213_1
(GLUTATHIONE
S-TRANSFERASE P)		 3nkg UNCHARACTERIZED
PROTEIN
GEBA250068378
(Sulfurospirillum
deleyianum) 		4 / 7 TYR A  88
VAL A  94
ASN A 123
GLY A 122
 None
None
ACY  A 175 (-3.1A)
None
 1.14A 3kmoB-3nkgA:
undetectable		 3kmoB-3nkgA:
20.19
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ILE A 722
THR A 724
ASP A 727
LYS A 730
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
None
None
 1.04A 3kpbA-2j9lA:
12.0		 3kpbA-2j9lA:
23.53
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.
3KPB_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ILE A 722
THR A 724
ASP A 727
SER A 618
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
ATP  A1752 (-3.3A)
None
 0.63A 3kpbA-2j9lA:
12.0		 3kpbA-2j9lA:
23.53
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ILE A 722
THR A 724
ASP A 727
LYS A 730
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
None
None
 1.06A 3kpbC-2j9lA:
12.3		 3kpbC-2j9lA:
23.53
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.
3KPB_C_SAMC1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ILE A 722
THR A 724
ASP A 727
SER A 618
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
ATP  A1752 (-3.3A)
None
 0.57A 3kpbC-2j9lA:
12.3		 3kpbC-2j9lA:
23.53
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.
3KPC_A_SAMA1000_0
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 11 ILE A 722
THR A 724
ASP A 727
SER A 618
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
ATP  A1752 (-3.3A)
None
 0.61A 3kpcA-2j9lA:
13.0		 3kpcA-2j9lA:
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.
3KPD_C_SAMC1000_1
(UNCHARACTERIZED
PROTEIN MJ0100)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ILE A 722
THR A 724
ASP A 727
SER A 618
PRO A 621
 ATP  A1752 (-4.1A)
ATP  A1752 (-2.7A)
ATP  A1752 (-2.7A)
ATP  A1752 (-3.3A)
None
 0.49A 3kpdC-2j9lA:
12.3		 3kpdC-2j9lA:
23.53
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.
3KW4_A_TICA600_1
(CYTOCHROME P450 2B4)		 1txu RAB5 GDP/GTP
EXCHANGE FACTOR
(Homo
sapiens) 		5 / 11 ILE A 175
SER A 174
PHE A 341
ALA A 182
GLU A 180
 ILE  A 175 ( 0.3A)
SER  A 174 ( 0.0A)
PHE  A 341 ( 1.3A)
ALA  A 182 ( 0.0A)
GLU  A 180 ( 0.5A)
 0.95A 3kw4A-1txuA:
undetectable		 3kw4A-1txuA:
19.57
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.
3LIK_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.96A 3likA-1y13A:
undetectable		 3likA-1y13A:
18.38
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.
3LIL_A_HAEA302_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.94A 3lilA-1y13A:
undetectable		 3lilA-1y13A:
18.38
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.
3LJG_A_HAEA301_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.90A 3ljgA-1y13A:
undetectable		 3ljgA-1y13A:
18.38
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.
3LKA_A_HAEA269_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.94A 3lkaA-1y13A:
undetectable		 3lkaA-1y13A:
17.84
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		 5e37 EF-HAND
DOMAIN-CONTAINING
THIOREDOXIN
(Chlamydomonas
reinhardtii) 		4 / 8 ASP A 102
LEU A 104
SER A 176
ASN A 175
 ASP  A 102 ( 0.5A)
LEU  A 104 ( 0.6A)
SER  A 176 ( 0.0A)
ASN  A 175 ( 0.6A)
 0.98A 3lm8A-5e37A:
undetectable
3lm8C-5e37A:
undetectable		 3lm8A-5e37A:
21.21
3lm8C-5e37A:
21.21
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.
3LZV_A_017A200_1
(HIV-1 PROTEASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 10 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.96A 3lzvA-1liaB:
undetectable		 3lzvA-1liaB:
17.13
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.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 3rab PROTEIN (RAB3A)
(Rattus
norvegicus) 		4 / 5 LEU A 131
GLN A 174
THR A 175
GLU A 160
 LEU  A 131 ( 0.6A)
GLN  A 174 ( 0.6A)
THR  A 175 ( 0.8A)
GLU  A 160 ( 0.5A)
 1.12A 3n58C-3rabA:
2.9		 3n58C-3rabA:
14.85
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.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 4jbe GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE
(Saccharomonospor
a
viridis) 		5 / 12 VAL A 133
ILE A 175
ALA A  34
LEU A  35
LEU A  87
 VAL  A 133 ( 0.6A)
ILE  A 175 ( 0.7A)
ALA  A  34 ( 0.0A)
LEU  A  35 ( 0.5A)
LEU  A  87 ( 0.6A)
 0.76A 3n8yB-4jbeA:
undetectable		 3n8yB-4jbeA:
21.04
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.
3NAI_C_URFC521_1
(RNA DEPENDENT RNA
POLYMERASE)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 5 ASP A 899
ASP A 903
ASP A 910
ARG A 909
 CA  A1174 ( 3.1A)
CA  A1174 ( 2.5A)
CA  A1175 ( 2.5A)
None
 1.43A 3naiC-2rhpA:
undetectable		 3naiC-2rhpA:
21.69
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.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 GLY A 717
LEU A 689
ARG A 694
LEU A 698
LEU A 685
 None
EDO  A1755 ( 4.8A)
None
None
None
 1.35A 3ndvA-2xijA:
undetectable
3ndvB-2xijA:
undetectable		 3ndvA-2xijA:
19.58
3ndvB-2xijA:
19.58
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.
3NDV_B_AICB376_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 LEU A 685
GLY A 717
LEU A 689
ARG A 694
LEU A 698
 None
None
EDO  A1755 ( 4.8A)
None
None
 1.37A 3ndvA-2xijA:
undetectable
3ndvB-2xijA:
undetectable		 3ndvA-2xijA:
19.58
3ndvB-2xijA:
19.58
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.
3NDV_C_AICC375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 GLY A 717
LEU A 689
ARG A 694
LEU A 698
LEU A 685
 None
EDO  A1755 ( 4.8A)
None
None
None
 1.35A 3ndvC-2xijA:
undetectable
3ndvD-2xijA:
undetectable		 3ndvC-2xijA:
19.58
3ndvD-2xijA:
19.58
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.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1
(Saccharomyces
cerevisiae) 		5 / 12 LEU A 475
ILE A 447
ALA A 443
ILE A 434
GLY A 466
 None
None
None
AU  A1752 ( 4.2A)
None
 1.04A 3nxuA-4b8bA:
undetectable		 3nxuA-4b8bA:
23.09
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		3 / 3 LYS A 140
ARG A  43
ASP A  65
 SO4  A 175 (-2.9A)
SO4  A 175 (-3.1A)
None
 1.43A 3o7wA-2prdA:
undetectable		 3o7wA-2prdA:
23.16
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		3 / 3 LYS A 148
ARG A  43
ASP A  67
 SO4  A 175 ( 4.5A)
SO4  A 175 (-3.1A)
None
 1.37A 3o7wA-2prdA:
undetectable		 3o7wA-2prdA:
23.16
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.
3O7W_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		3 / 3 LYS A 148
ARG A  43
ASP A  70
 SO4  A 175 ( 4.5A)
SO4  A 175 (-3.1A)
None
 1.44A 3o7wA-2prdA:
undetectable		 3o7wA-2prdA:
23.16
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.
3OGP_A_017A200_1
(FIV PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.90A 3ogpA-3lp6A:
undetectable		 3ogpA-3lp6A:
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.
3OGP_B_017B200_2
(FIV PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.03A 3ogpB-3lp6A:
undetectable		 3ogpB-3lp6A:
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.
3OGQ_A_AB1A200_2
(FIV PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.94A 3ogqB-3lp6A:
undetectable		 3ogqB-3lp6A:
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.
3OWX_A_XRAA233_2
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1
(Saccharomyces
cerevisiae) 		4 / 5 VAL A 392
ILE A 411
PHE A 357
PHE A 376
 AU  A1752 ( 4.6A)
None
AU  A1755 (-4.6A)
None
 1.12A 3owxB-4b8bA:
undetectable		 3owxB-4b8bA:
17.10
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		 2j9l CHLORIDE CHANNEL
PROTEIN 5
(Homo
sapiens) 		5 / 12 ASP A 592
GLY A 619
LEU A 719
THR A 596
ILE A 611
 None
None
None
ATP  A1752 (-4.1A)
None
 0.89A 3pwwA-2j9lA:
undetectable		 3pwwA-2j9lA:
17.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ROX_A_TEPA266_1
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 ALA A 441
VAL A 438
ASP A 437
LEU A 434
 EDO  A1750 ( 4.6A)
None
None
None
 0.74A 3roxA-2xijA:
4.9		 3roxA-2xijA:
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.
3SMT_A_ACTA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD3)		 1prs DEVELOPMENT-SPECIFIC
PROTEIN S
(Myxococcus
xanthus) 		3 / 3 PHE A 101
SER A 130
GLN A 100
 None
CA  A 175 (-3.2A)
None
 1.00A 3smtA-1prsA:
0.0		 3smtA-1prsA:
15.73
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 11 ARG A  11
ILE A 160
GLY A 162
ILE A 166
PRO A  14
 SO4  A1759 ( 3.2A)
None
None
None
None
 1.12A 3spkA-1hybA:
undetectable		 3spkA-1hybA:
18.52
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 11 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.97A 3spkA-1liaB:
undetectable		 3spkA-1liaB:
15.56
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 1.01A 3spkB-1liaB:
undetectable		 3spkB-1liaB:
15.56
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 7 THR A 127
HIS A  41
ILE A  31
HIS A  29
 BIO  A 175 ( 4.7A)
ZN  A 174 ( 3.3A)
BIO  A 175 (-4.2A)
ZN  A 174 ( 3.5A)
 1.08A 3t01A-1y13A:
undetectable		 3t01A-1y13A:
15.14
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.
3T01_A_PPFA503_1
(PHOSPHONOACETATE
HYDROLASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 7 ASN A 144
ASP A 291
HIS A  77
HIS A 231
 None
ZN  A 418 (-2.5A)
KCX  A 175 (-3.3A)
ZN  A 419 (-3.6A)
 0.94A 3t01A-2ogjA:
undetectable		 3t01A-2ogjA:
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.
3T3R_B_9PLB501_1
(CYTOCHROME P450 2A6)		 3u8p CYTOCHROME B562
INTEGRAL FUSION WITH
ENHANCED GREEN
FLUORESCENT PROTEIN
(Aequorea
victoria;
Escherichia
coli) 		5 / 9 PHE A 179
VAL A 220
ASN A 229
ILE A  14
PHE A   8
 None
CRO  A 175 ( 4.8A)
CRO  A 175 ( 3.5A)
None
None
 1.19A 3t3rB-3u8pA:
undetectable		 3t3rB-3u8pA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_C_9PLC501_1
(CYTOCHROME P450 2A6)		 3u8p CYTOCHROME B562
INTEGRAL FUSION WITH
ENHANCED GREEN
FLUORESCENT PROTEIN
(Aequorea
victoria;
Escherichia
coli) 		5 / 9 PHE A 179
VAL A 220
ASN A 229
ILE A  14
PHE A   8
 None
CRO  A 175 ( 4.8A)
CRO  A 175 ( 3.5A)
None
None
 1.23A 3t3rC-3u8pA:
undetectable		 3t3rC-3u8pA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3T3R_D_9PLD501_1
(CYTOCHROME P450 2A6)		 3u8p CYTOCHROME B562
INTEGRAL FUSION WITH
ENHANCED GREEN
FLUORESCENT PROTEIN
(Aequorea
victoria;
Escherichia
coli) 		5 / 10 PHE A 179
VAL A 220
ASN A 229
ILE A  14
PHE A   8
 None
CRO  A 175 ( 4.8A)
CRO  A 175 ( 3.5A)
None
None
 1.19A 3t3rD-3u8pA:
undetectable		 3t3rD-3u8pA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 4cw5 DFNA
(Bacillus
velezensis) 		4 / 7 GLY A 559
ASN A 562
GLY A 355
THR A 356
 FMN  A1753 (-3.0A)
None
None
None
 0.73A 3tajA-4cw5A:
undetectable		 3tajA-4cw5A:
22.25
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		6 / 12 THR A 379
GLY A 381
GLY A 366
HIS A 367
SER A 445
GLN A 563
 None
None
None
ZN  A1752 ( 3.3A)
None
None
 1.14A 3tkaA-3fedA:
undetectable		 3tkaA-3fedA:
19.94
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.
3TMZ_A_06XA504_1
(CYTOCHROME P450 2B4)		 3zzw TYROSINE-PROTEIN
KINASE TRANSMEMBRANE
RECEPTOR ROR2
(Homo
sapiens) 		5 / 9 LEU A 587
LEU A 627
ILE A 599
PHE A 592
VAL A 685
 None
CL  A1751 (-4.6A)
None
None
None
 0.89A 3tmzA-3zzwA:
undetectable		 3tmzA-3zzwA:
20.50
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 10 ALA A 441
ASP A 440
ASP A 437
GLY A 325
LEU A 275
ILE A 274
 EDO  A1750 ( 4.6A)
None
None
None
EDO  A1750 ( 4.5A)
EDO  A1750 (-3.9A)
 1.41A 3ttpA-2xijA:
undetectable		 3ttpA-2xijA:
9.68
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.93A 3ttpA-4cw5A:
undetectable		 3ttpA-4cw5A:
12.25
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 10 ALA A 441
ASP A 440
ASP A 437
GLY A 325
LEU A 275
ILE A 274
 EDO  A1750 ( 4.6A)
None
None
None
EDO  A1750 ( 4.5A)
EDO  A1750 (-3.9A)
 1.44A 3ttpB-2xijA:
undetectable		 3ttpB-2xijA:
9.68
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 10 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.96A 3ttpB-4cw5A:
undetectable		 3ttpB-4cw5A:
12.25
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.
3U5K_D_08JD4_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		 2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT
(Gracilaria
chilensis) 		4 / 8 VAL B  41
LEU A  24
LEU B  38
ILE A   5
 None
PEB  B1175 ( 4.6A)
PEB  B1175 ( 4.0A)
None
 0.90A 3u5kD-2bv8B:
undetectable		 3u5kD-2bv8B:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U7S_A_017A202_1
(POL POLYPROTEIN)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 9 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 1.12A 3u7sA-1liaB:
undetectable		 3u7sA-1liaB:
20.33
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.04A 3u7sB-3lp6A:
undetectable		 3u7sB-3lp6A:
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.
3UCB_A_017A201_1
(PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 12 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 0.98A 3ucbA-3lp6A:
undetectable		 3ucbA-3lp6A:
20.69
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		 2clb DPS-LIKE PROTEIN
(Sulfolobus
solfataricus) 		3 / 3 THR A 130
VAL A 134
GLU A 156
 None
None
ZN  A1175 ( 2.3A)
 0.77A 3v4tA-2clbA:
undetectable
3v4tD-2clbA:
undetectable		 3v4tA-2clbA:
18.76
3v4tD-2clbA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_A_VIVA301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1gka CRUSTACYANIN A2
SUBUNIT
(Homarus
gammarus) 		5 / 11 SER B  49
PHE B 133
ILE B  93
VAL B  43
VAL B 164
 None
None
AXT  B1175 (-4.7A)
None
None
 1.00A 3w67A-1gkaB:
undetectable		 3w67A-1gkaB:
21.01
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1gka CRUSTACYANIN A2
SUBUNIT
(Homarus
gammarus) 		5 / 12 VAL B  62
PHE B 133
ILE B  93
VAL B  43
VAL B 164
 None
None
AXT  B1175 (-4.7A)
None
None
 1.04A 3w68D-1gkaB:
undetectable		 3w68D-1gkaB:
21.01
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.
3WG7_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 6 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.02A 3wg7C-1gm5A:
2.9
3wg7J-1gm5A:
0.0		 3wg7C-1gm5A:
15.64
3wg7J-1gm5A:
5.92
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.
3ZJQ_B_NCAB300_0
(PROTOGLOBIN)		 4nas RIBULOSE-BISPHOSPHAT
E CARBOXYLASE
(Alicyclobacillus
acidocaldarius) 		4 / 7 TYR A 195
VAL A 174
PHE A 148
ILE A 202
 None
KCX  A 175 ( 3.0A)
None
None
 0.98A 3zjqB-4nasA:
undetectable		 3zjqB-4nasA:
19.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQT_C_C5EC301_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		4 / 8 TYR A 139
TYR A  51
TYR A  55
ILE A 132
 SO4  A 175 (-4.3A)
None
None
None
 1.31A 4bqtC-2prdA:
undetectable
4bqtD-2prdA:
undetectable		 4bqtC-2prdA:
25.91
4bqtD-2prdA:
25.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CP3_B_RBTB1129_1
(B-CELL LYMPHOMA 6
PROTEIN)		 2bv8 C-PHYCOCYANIN ALPHA
SUBUNIT
C-PHYCOCYANIN BETA
SUBUNIT
(Gracilaria
chilensis) 		4 / 7 ASN B  35
LEU B  38
ARG B  37
TYR A  31
 PEB  B1175 (-3.6A)
PEB  B1175 ( 4.0A)
None
None
 1.02A 4cp3A-2bv8B:
undetectable
4cp3B-2bv8B:
undetectable		 4cp3A-2bv8B:
20.57
4cp3B-2bv8B:
20.57
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.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)		 2pnn TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 1
(Rattus
norvegicus) 		5 / 12 PHE A 189
LEU A 175
ALA A 174
LEU A 216
GLY A 168
 PHE  A 189 ( 1.3A)
LEU  A 175 ( 0.5A)
ALA  A 174 ( 0.0A)
LEU  A 216 ( 0.5A)
GLY  A 168 ( 0.0A)
 1.03A 4dm8B-2pnnA:
undetectable		 4dm8B-2pnnA:
21.17
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.
4DQC_A_017A101_2
(ASPARTYL PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.01A 4dqcB-3lp6A:
undetectable		 4dqcB-3lp6A:
21.66
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.
4EAT_B_BEZB1000_0
(BENZOATE-COENZYME A
LIGASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 9 ALA A 536
ALA A 707
GLY A 705
GLY A 559
ILE A 561
 FMN  A1753 ( 3.3A)
FMN  A1753 (-3.6A)
None
FMN  A1753 (-3.0A)
None
 1.11A 4eatB-4cw5A:
undetectable		 4eatB-4cw5A:
21.36
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.
4EJG_B_NCTB501_1
(CYTOCHROME P450 2A13)		 6c0w CENTROMERE PROTEIN N
(Homo
sapiens) 		4 / 8 PHE K 104
ALA K 161
THR K 163
LEU K 175
 PHE  K 104 ( 1.3A)
ALA  K 161 ( 0.0A)
THR  K 163 ( 0.8A)
LEU  K 175 ( 0.5A)
 0.91A 4ejgB-6c0wK:
undetectable		 4ejgB-6c0wK:
10.50
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.
4EJG_D_NCTD501_1
(CYTOCHROME P450 2A13)		 6c0w CENTROMERE PROTEIN N
(Homo
sapiens) 		4 / 6 PHE K 104
ALA K 161
THR K 163
LEU K 175
 PHE  K 104 ( 1.3A)
ALA  K 161 ( 0.0A)
THR  K 163 ( 0.8A)
LEU  K 175 ( 0.5A)
 0.89A 4ejgD-6c0wK:
undetectable		 4ejgD-6c0wK:
10.50
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.
4EJJ_A_NCTA501_1
(CYTOCHROME P450 2A6)		 3nkg UNCHARACTERIZED
PROTEIN
GEBA250068378
(Sulfurospirillum
deleyianum) 		5 / 7 PHE A  35
ASN A 123
GLY A 122
THR A 120
ILE A 132
 None
ACY  A 175 (-3.1A)
None
None
None
 1.45A 4ejjA-3nkgA:
undetectable		 4ejjA-3nkgA:
16.28
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.
4EM2_A_SALA503_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		 1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 6 ARG A 136
ILE A 157
VAL A 153
LEU A 149
 SO4  A1759 (-3.1A)
None
None
None
 1.02A 4em2A-1hybA:
undetectable		 4em2A-1hybA:
24.77
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		5 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
ASP A 899
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
CA  A1174 ( 3.1A)
 1.48A 4feuB-2rhpA:
undetectable		 4feuB-2rhpA:
17.61
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.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.21A 4fevB-2rhpA:
undetectable		 4fevB-2rhpA:
17.61
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.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.14A 4fevD-2rhpA:
undetectable		 4fevD-2rhpA:
17.61
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.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.15A 4fevF-2rhpA:
undetectable		 4fevF-2rhpA:
17.61
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.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.19A 4fewB-2rhpA:
undetectable		 4fewB-2rhpA:
17.61
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.13A 4fewD-2rhpA:
undetectable		 4fewD-2rhpA:
17.61
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.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.16A 4fewF-2rhpA:
undetectable		 4fewF-2rhpA:
17.61
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.16A 4fexB-2rhpA:
undetectable		 4fexB-2rhpA:
17.61
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 4cw5 DFNA
(Bacillus
velezensis) 		4 / 6 THR A 329
GLY A 559
ASN A 562
GLY A 335
 None
FMN  A1753 (-3.0A)
None
None
 0.91A 4fjpA-4cw5A:
undetectable		 4fjpA-4cw5A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FU8_A_ACTA302_0
(UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		4 / 5 HIS A 312
TYR A 413
GLY A 309
SER A 311
 PGR  A1744 (-3.8A)
PGR  A1757 (-4.8A)
PGR  A1744 (-3.5A)
PGR  A1744 ( 2.6A)
 1.20A 4fu8A-2xe4A:
undetectable		 4fu8A-2xe4A:
15.90
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.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.12A 4gkhB-2rhpA:
undetectable		 4gkhB-2rhpA:
17.61
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.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.20A 4gkhD-2rhpA:
undetectable		 4gkhD-2rhpA:
17.61
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.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.15A 4gkhF-2rhpA:
undetectable		 4gkhF-2rhpA:
17.61
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 7 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.16A 4gkhG-2rhpA:
undetectable		 4gkhG-2rhpA:
17.61
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 6 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.20A 4gkhJ-2rhpA:
undetectable		 4gkhJ-2rhpA:
17.61
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.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 6 ASP A 894
ASP A 890
ASP A 910
ASP A 899
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1174 ( 3.1A)
 1.29A 4gkhJ-2rhpA:
undetectable		 4gkhJ-2rhpA:
17.61
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.14A 4gkhC-2rhpA:
undetectable
4gkhK-2rhpA:
undetectable		 4gkhC-2rhpA:
17.61
4gkhK-2rhpA:
17.61
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.15A 4gkiA-2rhpA:
undetectable		 4gkiA-2rhpA:
17.61
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.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 2rhp THROMBOSPONDIN-2
(Homo
sapiens) 		4 / 8 ASP A 894
ASP A 890
ASP A 910
ASN A 902
 None
CA  A   7 ( 2.5A)
CA  A1175 ( 2.5A)
CA  A1176 (-3.1A)
 1.17A 4gkiC-2rhpA:
undetectable		 4gkiC-2rhpA:
17.61
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.
4H9M_A_HAEA929_1
(UREASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		4 / 5 HIS A  77
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.83A 4h9mA-2ogjA:
19.8		 4h9mA-2ogjA:
20.07
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.
4JSE_A_H4BA804_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 7 ARG A 527
TRP A 421
PHE A 524
GLU A 424
 None
None
None
ZN  A1751 (-3.6A)
 1.43A 4jseA-1z8lA:
0.6
4jseB-1z8lA:
3.0		 4jseA-1z8lA:
20.85
4jseB-1z8lA:
20.85
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.
4JSE_B_H4BB802_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 7 TRP A 421
PHE A 524
GLU A 424
ARG A 527
 None
None
ZN  A1751 (-3.6A)
None
 1.41A 4jseA-1z8lA:
0.6
4jseB-1z8lA:
3.0		 4jseA-1z8lA:
20.85
4jseB-1z8lA:
20.85
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		6 / 12 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.26A 4kosA-3kkwA:
31.8		 4kosA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
 1.41A 4kosA-3kkwA:
31.8		 4kosA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOS_A_4KOA201_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		12 / 12 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.44A 4kosA-3kkwA:
31.8		 4kosA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		6 / 12 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.31A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
 1.41A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOT_A_CE3A205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		12 / 12 PHE A  27
CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 171 ( 4.5A)
EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.36A 4kotA-3kkwA:
31.9		 4kotA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOU_A_C04A206_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		10 / 10 PHE A  27
TYR A  30
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
PHE A 118
ARG A 141
LEU A 151
 EDO  A 171 ( 4.5A)
EDO  A 170 (-4.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
None
SO4  A 161 (-3.9A)
None
 0.41A 4kouA-3kkwA:
31.9		 4kouA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		6 / 12 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.28A 4kovA-3kkwA:
31.8		 4kovA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		12 / 12 TYR A  30
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 170 (-4.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.41A 4kovA-3kkwA:
31.8		 4kovA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 12 ARG A  49
TYR A  68
GLY A  79
ASN A  66
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
EDO  A 176 ( 4.8A)
 1.35A 4kowA-3kkwA:
32.0		 4kowA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOW_A_CFXA204_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		12 / 12 PHE A  27
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
SER A 116
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 171 ( 4.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
SO4  A 161 (-4.8A)
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.40A 4kowA-3kkwA:
32.0		 4kowA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 ARG A  49
TYR A  68
GLY A  79
ASN A  66
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
EDO  A 176 ( 4.8A)
 1.39A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 CYH A  29
PRO A  31
ARG A  49
ASN A  80
PHE A  27
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 ( 4.3A)
EDO  A 171 ( 4.5A)
 1.35A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOX_A_CLSA205_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		11 / 11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
PHE A 118
TYR A 128
ARG A 141
LEU A 151
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.37A 4koxA-3kkwA:
32.0		 4koxA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		6 / 11 ARG A  49
TYR A  68
GLY A  79
ASN A  66
ILE A 115
TYR A 128
 EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
None
None
EDO  A 176 ( 4.8A)
 1.28A 4koyA-3kkwA:
32.1		 4koyA-3kkwA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KOY_A_CSCA214_1
(UNCHARACTERIZED
PROTEIN)		 3kkw PUTATIVE
UNCHARACTERIZED
PROTEIN
(Pseudomonas
aeruginosa) 		11 / 11 CYH A  29
PRO A  31
ARG A  49
TYR A  68
GLY A  79
ASN A  80
MET A  81
ILE A 115
TYR A 128
ARG A 141
LEU A 151
 EDO  A 163 ( 3.5A)
EDO  A 175 (-4.3A)
EDO  A 175 ( 3.0A)
EDO  A 175 (-3.6A)
EDO  A 175 ( 3.6A)
EDO  A 175 ( 4.3A)
EDO  A 174 ( 4.8A)
None
EDO  A 176 ( 4.8A)
SO4  A 161 (-3.9A)
None
 0.37A 4koyA-3kkwA:
32.1		 4koyA-3kkwA:
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.
4KRH_A_SAMA900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 PHE A 133
TYR A 119
SER A 126
CYH A  84
ILE A  88
 None
None
None
CYC  A 175 (-1.8A)
None
 1.09A 4krhA-1liaA:
undetectable		 4krhA-1liaA:
17.69
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.
4KRH_B_SAMB900_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 PHE A 133
TYR A 119
SER A 126
CYH A  84
ILE A  88
 None
None
None
CYC  A 175 (-1.8A)
None
 1.15A 4krhB-1liaA:
undetectable		 4krhB-1liaA:
17.69
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.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		 4umf 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE KDSC
(Moraxella
catarrhalis) 		4 / 4 ILE A  21
SER A  23
ASP A 114
ASP A  86
 None
None
MG  A1175 ( 4.3A)
None
 1.47A 4krhB-4umfA:
undetectable		 4krhB-4umfA:
18.48
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 ALA A 548
GLY A 540
GLY A 538
LEU A 708
ALA A 545
 None
None
FMN  A1753 (-3.5A)
None
None
 1.15A 4lg1C-4cw5A:
undetectable		 4lg1C-4cw5A:
19.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2R_A_BZ1A302_2
(CARBONIC ANHYDRASE 2)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 4 HIS A  82
GLU A 425
HIS A 553
LEU A 551
 None
ZN  A1752 (-2.5A)
ZN  A1752 (-3.3A)
None
 1.36A 4m2rA-1z8lA:
undetectable		 4m2rA-1z8lA:
16.42
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.
4MK4_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		 1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE
(Methanothermobac
ter
thermautotrophic
us) 		5 / 8 ARG A 146
PRO A  49
ARG A  11
VAL A 163
GLY A 162
 None
None
SO4  A1759 ( 3.2A)
None
None
 1.09A 4mk4A-1hybA:
3.3		 4mk4A-1hybA:
19.32
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 1h54 MALTOSE
PHOSPHORYLASE
(Lactobacillus
brevis) 		4 / 8 HIS A 555
TYR A 619
ILE A 563
GLU A 489
 None
None
None
K  A1754 (-2.6A)
 1.19A 4ms4A-1h54A:
undetectable		 4ms4A-1h54A:
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.
4MS4_A_2C0A501_1
(GAMMA-AMINOBUTYRIC
ACID TYPE B RECEPTOR
SUBUNIT 1)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 8 SER A 483
SER A 496
TYR A 537
GLU A 486
 None
None
None
NAG  A1757 (-2.7A)
 1.20A 4ms4A-1z8lA:
3.4		 4ms4A-1z8lA:
20.81
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.
4NC3_A_ERMA1202_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4urs DIGUANYLATE CYCLASE
(Thermotoga
maritima) 		5 / 12 LEU A 175
VAL A 122
VAL A 157
LEU A  96
VAL A 125
 LEU  A 175 (-0.5A)
VAL  A 122 ( 0.6A)
VAL  A 157 (-0.6A)
LEU  A  96 ( 0.6A)
VAL  A 125 ( 0.5A)
 1.33A 4nc3A-4ursA:
undetectable		 4nc3A-4ursA:
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 6 GLU A 457
ASP A 387
GLU A 424
ARG A 210
 None
ZN  A1751 ( 2.6A)
ZN  A1751 (-3.6A)
None
 1.09A 4ntxA-1z8lA:
0.0
4ntxC-1z8lA:
0.0		 4ntxA-1z8lA:
18.99
4ntxC-1z8lA:
8.92
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.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		4 / 6 GLU A 447
ASP A 377
GLU A 414
ARG A 200
 None
ZN  A1751 (-2.5A)
BIX  A   1 ( 2.7A)
BIX  A   1 (-2.7A)
 0.96A 4ntxA-3fedA:
2.8
4ntxC-3fedA:
undetectable		 4ntxA-3fedA:
21.52
4ntxC-3fedA:
9.97
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.
4O7G_A_ASCA303_0
(PROBABLE
TRANSMEMBRANE
ASCORBATE
FERRIREDUCTASE 2)		 3pu5 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN
(Bordetella
parapertussis) 		4 / 7 PHE A 159
ILE A 142
PHE A 173
ASN A 175
 PHE  A 159 ( 1.3A)
ILE  A 142 ( 0.6A)
PHE  A 173 ( 1.3A)
ASN  A 175 ( 0.6A)
 1.27A 4o7gA-3pu5A:
undetectable
4o7gB-3pu5A:
undetectable		 4o7gA-3pu5A:
21.96
4o7gB-3pu5A:
21.96
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 ALA A 536
GLY A 537
GLY A 538
ILE A 556
GLY A 534
 FMN  A1753 ( 3.3A)
FMN  A1753 (-3.4A)
FMN  A1753 (-3.5A)
None
None
 1.04A 4obwB-4cw5A:
undetectable		 4obwB-4cw5A:
21.67
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		5 / 11 HIS A 377
ASP A 387
GLU A 424
GLU A 425
HIS A 553
 ZN  A1751 (-3.3A)
ZN  A1751 ( 2.6A)
ZN  A1751 (-3.6A)
ZN  A1752 (-2.5A)
ZN  A1752 (-3.3A)
 0.35A 4pqaA-1z8lA:
19.1		 4pqaA-1z8lA:
20.71
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.
4PQA_A_X8ZA401_1
(SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE)		 3fed GLUTAMATE
CARBOXYPEPTIDASE III
(Homo
sapiens) 		5 / 11 HIS A 367
ASP A 377
GLU A 414
GLU A 415
HIS A 543
 ZN  A1752 ( 3.3A)
ZN  A1751 (-2.5A)
BIX  A   1 ( 2.7A)
ZN  A1751 ( 1.9A)
ZN  A1751 ( 3.2A)
 0.44A 4pqaA-3fedA:
19.5		 4pqaA-3fedA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1W_A_017A104_1
(ASPARTYL PROTEASE)		 3lp6 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
CATALYTIC SUBUNIT
(Mycobacterium
tuberculosis) 		5 / 9 GLY A  71
ALA A  70
ASP A  19
GLY A 122
ILE A 121
 FMT  A 175 (-4.1A)
FMT  A 175 ( 4.3A)
FMT  A 175 (-3.5A)
None
None
 1.00A 4q1wA-3lp6A:
undetectable		 4q1wA-3lp6A:
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.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 11 LEU B 122
ALA B  83
ILE B  56
GLY B  88
ILE B  90
 CYC  B 175 ( 4.5A)
CYC  B 175 (-3.4A)
None
CYC  B 175 ( 4.9A)
CYC  B 175 (-3.7A)
 0.91A 4q1xA-1liaB:
undetectable		 4q1xA-1liaB:
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.
4R20_B_AERB602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		5 / 9 ALA A 166
ILE A 209
VAL A 206
GLY A 175
VAL A 215
 ALA  A 166 ( 0.0A)
ILE  A 209 ( 0.7A)
VAL  A 206 ( 0.6A)
GLY  A 175 ( 0.0A)
VAL  A 215 ( 0.6A)
 1.20A 4r20B-1wlyA:
undetectable		 4r20B-1wlyA:
21.40
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.
4UBP_C_HAEC800_1
(PROTEIN (UREASE
(CHAIN C)))		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 6 HIS A  77
HIS A  79
HIS A 208
HIS A 231
ASP A 291
 KCX  A 175 (-3.3A)
ZN  A 418 (-3.4A)
ZN  A 419 (-3.4A)
ZN  A 419 (-3.6A)
ZN  A 418 (-2.5A)
 0.71A 4ubpC-2ogjA:
18.5		 4ubpC-2ogjA:
20.50
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		3 / 3 GLU A  38
ALA A  32
PHE A  36
 BIO  A 175 (-2.6A)
None
None
 0.65A 4v1fA-1y13A:
undetectable		 4v1fA-1y13A:
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.
4V1F_C_BQ1C1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		3 / 3 GLU A  38
ALA A  32
PHE A  36
 BIO  A 175 (-2.6A)
None
None
 0.67A 4v1fC-1y13A:
undetectable		 4v1fC-1y13A:
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.
4WQ5_B_ACTB404_0
(TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE)		 2prd PYROPHOSPHATE
PHOSPHOHYDROLASE
(Thermus
thermophilus) 		3 / 3 TYR A 139
ARG A  43
LYS A 140
 SO4  A 175 (-4.3A)
SO4  A 175 (-3.1A)
SO4  A 175 (-2.9A)
 1.41A 4wq5B-2prdA:
undetectable		 4wq5B-2prdA:
19.94
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.
4XI3_D_29SD601_1
(ESTROGEN RECEPTOR)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 ALA A 317
TRP A 102
LEU A 175
LEU A 176
MET A 122
 ALA  A 317 ( 0.0A)
TRP  A 102 ( 0.5A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
 1.15A 4xi3D-3sl5A:
undetectable		 4xi3D-3sl5A:
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 1tyj CELLULOSOMAL
SCAFFOLDIN
(Pseudobacteroide
s
cellulosolvens) 		4 / 8 ARG A  91
ALA A  74
LEU A  92
GLY A  33
 None
EDO  A 175 (-3.6A)
None
None
 0.90A 4xk8a-1tyjA:
undetectable		 4xk8a-1tyjA:
13.34
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 TYR A 123
VAL A 116
ILE A 164
LEU A 179
 None
EDO  A1753 ( 4.7A)
None
None
 1.08A 4xo7B-2xijA:
6.0		 4xo7B-2xijA:
16.64
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.
5AJQ_B_DB8B800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		 2gd2 PROBABLE
ALPHA-METHYLACYL-COA
RACEMASE MCR
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  70
ILE A  36
GLY A  93
LEU A  92
ASP A  60
 None
None
None
CAA  A1751 (-4.2A)
CAA  A1751 ( 4.7A)
 1.43A 5ajqB-2gd2A:
undetectable		 5ajqB-2gd2A:
22.98
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 6 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.06A 5b1bC-1gm5A:
2.9
5b1bJ-1gm5A:
0.2		 5b1bC-1gm5A:
15.64
5b1bJ-1gm5A:
5.92
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 3sl5 CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D
(Homo
sapiens) 		5 / 12 ALA A 317
LEU A 175
LEU A 176
MET A 122
ILE A 125
 ALA  A 317 ( 0.0A)
LEU  A 175 ( 0.6A)
LEU  A 176 ( 0.6A)
MET  A 122 ( 0.0A)
ILE  A 125 ( 0.6A)
 1.08A 5gtrA-3sl5A:
3.2		 5gtrA-3sl5A:
21.33
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.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 1omo ALANINE
DEHYDROGENASE
(Archaeoglobus
fulgidus) 		5 / 8 ILE A 175
VAL A 207
ILE A 285
ASP A 189
PHE A 128
 ILE  A 175 ( 0.6A)
VAL  A 207 ( 0.6A)
ILE  A 285 ( 0.7A)
ASP  A 189 ( 0.6A)
PHE  A 128 ( 1.3A)
 1.49A 5hi2A-1omoA:
undetectable		 5hi2A-1omoA:
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.
5JGL_A_SAMA301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 385
ALA A 387
ALA A 175
GLY A 382
PRO A 390
 ALA  A 385 ( 0.0A)
ALA  A 387 ( 0.0A)
ALA  A 175 (-0.0A)
GLY  A 382 (-0.0A)
PRO  A 390 ( 1.1A)
 1.46A 5jglA-4g9kA:
3.9		 5jglA-4g9kA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JGL_B_SAMB301_0
(UBIE/COQ5 FAMILY
METHYLTRANSFERASE,
PUTATIVE)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 385
ALA A 387
ALA A 175
GLY A 382
PRO A 390
 ALA  A 385 ( 0.0A)
ALA  A 387 ( 0.0A)
ALA  A 175 (-0.0A)
GLY  A 382 (-0.0A)
PRO  A 390 ( 1.1A)
 1.45A 5jglB-4g9kA:
3.0		 5jglB-4g9kA:
20.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KQX_A_ROCA101_2
(PROTEASE E35D-SQV)		 1wly 2-HALOACRYLATE
REDUCTASE
(Burkholderia
sp.
WS) 		5 / 9 LEU A 234
VAL A 206
ILE A 195
GLY A 175
ILE A 151
 LEU  A 234 ( 0.6A)
VAL  A 206 ( 0.6A)
ILE  A 195 ( 0.7A)
GLY  A 175 ( 0.0A)
ILE  A 151 ( 0.7A)
 1.03A 5kqxB-1wlyA:
undetectable		 5kqxB-1wlyA:
13.31
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		4 / 8 THR A 513
ALA A 506
ASP A 214
SER A 210
 None
None
175  A 211 ( 4.2A)
175  A 211 ( 4.7A)
 1.10A 5l5fY-1t6pA:
undetectable
5l5fZ-1t6pA:
undetectable		 5l5fY-1t6pA:
14.89
5l5fZ-1t6pA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LSU_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 ASN B  63
CYH B  75
ARG B  80
CYH B  84
LEU B  66
 None
CYC  B 175 (-3.5A)
CYC  B 175 (-3.9A)
CYC  B 175 (-1.8A)
CYC  B 175 ( 4.8A)
 1.42A 5lsuA-1liaB:
undetectable		 5lsuA-1liaB:
21.01
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.
5LSU_A_SAMA1304_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
NSD2)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		5 / 12 GLY B 123
ASN B  63
CYH B  75
CYH B  84
LEU B  66
 None
None
CYC  B 175 (-3.5A)
CYC  B 175 (-1.8A)
CYC  B 175 ( 4.8A)
 1.27A 5lsuA-1liaB:
undetectable		 5lsuA-1liaB:
21.01
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 12 LEU A 103
ASP A  75
THR A 290
GLY A 107
HIS A  79
 None
None
None
KCX  A 175 ( 4.0A)
ZN  A 418 (-3.4A)
 1.39A 5m66A-2ogjA:
undetectable		 5m66A-2ogjA:
22.83
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.
5N5D_A_SAMA306_0
(METHYLTRANSFERASE)		 4g9k ROTENONE-INSENSITIVE
NADH-UBIQUINONE
OXIDOREDUCTASE
(Saccharomyces
cerevisiae) 		5 / 12 ALA A 343
GLY A 382
TRP A  63
ALA A 400
ALA A 175
 ALA  A 343 ( 0.0A)
GLY  A 382 (-0.0A)
TRP  A  63 (-0.5A)
ALA  A 400 ( 0.0A)
ALA  A 175 (-0.0A)
 1.18A 5n5dA-4g9kA:
2.6		 5n5dA-4g9kA:
20.38
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.
5N5J_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 4 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.93A 5n5jA-1y13A:
undetectable		 5n5jA-1y13A:
17.84
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.
5N5K_A_HAEA306_1
(MACROPHAGE
METALLOELASTASE)		 1y13 6-PYRUVOYL
TETRAHYDROPTERIN
SYNTHASE
(Plasmodium
falciparum) 		4 / 5 HIS A  41
GLU A  38
HIS A  29
HIS A  43
 ZN  A 174 ( 3.3A)
BIO  A 175 (-2.6A)
ZN  A 174 ( 3.5A)
ZN  A 174 ( 3.4A)
 0.92A 5n5kA-1y13A:
undetectable		 5n5kA-1y13A:
17.84
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.
5O4Y_D_CCSD14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2
PROGRAMMED CELL
DEATH 1 LIGAND 1)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 12 LEU A 174
ARG A 177
GLY A 107
GLU A 148
GLY A 136
 KCX  A 175 ( 4.1A)
None
KCX  A 175 ( 4.0A)
None
None
 1.23A 5o4yD-2ogjA:
undetectable
5o4yE-2ogjA:
undetectable		 5o4yD-2ogjA:
2.84
5o4yE-2ogjA:
16.49
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.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 1ryn PROTEIN CRS2
(Zea
mays) 		5 / 11 LEU A 105
PRO A 131
LEU A 133
THR A 175
ALA A 172
 LEU  A 105 ( 0.6A)
PRO  A 131 ( 1.1A)
LEU  A 133 ( 0.6A)
THR  A 175 ( 0.8A)
ALA  A 172 ( 0.0A)
 1.06A 5o96A-1rynA:
undetectable
5o96B-1rynA:
2.1		 5o96A-1rynA:
22.13
5o96B-1rynA:
22.13
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.
5O96_H_SAMH501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 5hxk ZINC-DEPENDENT
PEPTIDASE
(Thermus
thermophilus) 		5 / 10 ARG A 175
GLY A  39
LEU A  46
LEU A 169
ALA A 164
 ARG  A 175 ( 0.6A)
GLY  A  39 ( 0.0A)
LEU  A  46 ( 0.6A)
LEU  A 169 ( 0.6A)
ALA  A 164 ( 0.0A)
 1.07A 5o96G-5hxkA:
undetectable
5o96H-5hxkA:
undetectable		 5o96G-5hxkA:
21.39
5o96H-5hxkA:
21.39
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.
5T2Z_B_017B201_1
(PROTEASE)		 4cw5 DFNA
(Bacillus
velezensis) 		5 / 12 GLY A 559
GLY A 732
ILE A 731
PRO A 542
ILE A 539
 FMN  A1753 (-3.0A)
None
None
None
None
 0.99A 5t2zA-4cw5A:
undetectable		 5t2zA-4cw5A:
13.45
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.
5UMW_B_RBFB201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		 1lia R-PHYCOERYTHRIN
(Polysiphonia
urceolata) 		4 / 7 VAL A  52
ARG A  93
TYR B  18
LEU A 107
 None
CYC  A 175 ( 4.9A)
None
None
 1.01A 5umwB-1liaA:
undetectable
5umwE-1liaA:
undetectable		 5umwB-1liaA:
18.90
5umwE-1liaA:
18.90
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.
5VOO_F_C2FF3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		5 / 12 GLU A 522
ASN A 519
ASP A 520
GLY A 427
PHE A 209
 None
ZN  A1751 (-3.7A)
None
None
None
 1.12A 5vooF-1z8lA:
undetectable		 5vooF-1z8lA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WAU_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.07A 5wauC-1gm5A:
2.9
5wauJ-1gm5A:
0.0		 5wauC-1gm5A:
15.64
5wauJ-1gm5A:
5.92
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.
5WAU_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.10A 5wauc-1gm5A:
2.9
5wauj-1gm5A:
0.0		 5wauc-1gm5A:
15.64
5wauj-1gm5A:
5.92
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 10 PHE A 233
ASP A 291
GLY A 266
PHE A 270
ALA A 106
 None
ZN  A 418 (-2.5A)
None
None
KCX  A 175 ( 3.6A)
 1.26A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		 2ogj DIHYDROOROTASE
(Agrobacterium
fabrum) 		5 / 10 PHE A 233
ILE A 263
GLY A 266
PHE A 270
ALA A 106
 None
None
None
None
KCX  A 175 ( 3.6A)
 1.37A 5x66D-2ogjA:
undetectable		 5x66D-2ogjA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_C_CHDC308_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.15A 5xdqC-1gm5A:
3.1
5xdqJ-1gm5A:
0.2		 5xdqC-1gm5A:
15.64
5xdqJ-1gm5A:
5.92
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.
5XDQ_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 5 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.15A 5xdqP-1gm5A:
3.0
5xdqW-1gm5A:
0.0		 5xdqP-1gm5A:
15.64
5xdqW-1gm5A:
5.92
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.
5XIP_A_HFGA1003_1
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		 4w65 GLYCOSYL HYDROLASE
FAMILY PROTEIN
(Mycolicibacteriu
m
fortuitum) 		3 / 3 GLU A 168
TRP A 175
HIS A 182
 GLU  A 168 (-0.5A)
TRP  A 175 ( 0.5A)
HIS  A 182 ( 1.0A)
 1.03A 5xipA-4w65A:
undetectable		 5xipA-4w65A:
17.81
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		5 / 11 HIS A 690
ILE A 739
HIS A 679
ASN A 618
ASP A 616
 LMR  A1760 (-3.8A)
LMR  A1760 (-4.0A)
NI  A1759 ( 3.2A)
NI  A1759 ( 4.7A)
None
 1.11A 5z0fA-5apaA:
undetectable
5z0fB-5apaA:
undetectable		 5z0fA-5apaA:
16.51
5z0fB-5apaA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 5apa ASPARTYL/ASPARAGINYL
BETA-HYDROXYLASE
(Homo
sapiens) 		5 / 11 HIS A 690
ILE A 739
HIS A 679
ASN A 618
ASP A 616
 LMR  A1760 (-3.8A)
LMR  A1760 (-4.0A)
NI  A1759 ( 3.2A)
NI  A1759 ( 4.7A)
None
 1.11A 5z0gA-5apaA:
undetectable
5z0gB-5apaA:
undetectable		 5z0gA-5apaA:
16.51
5z0gB-5apaA:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 1gm5 RECG
(Thermotoga
maritima) 		4 / 6 PHE A 441
PHE A 361
LEU A 365
PHE A 367
 None
None
None
ADP  A1756 (-3.3A)
 1.11A 5z86C-1gm5A:
3.0
5z86J-1gm5A:
0.2		 5z86C-1gm5A:
15.64
5z86J-1gm5A:
5.92
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.
5ZHM_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		4 / 4 ARG A 534
SER A 454
ASP A 387
HIS A 553
 None
None
ZN  A1751 ( 2.6A)
ZN  A1752 (-3.3A)
 1.09A 5zhmA-1z8lA:
0.6		 5zhmA-1z8lA:
16.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CLX_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4umf 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE KDSC
(Moraxella
catarrhalis) 		5 / 12 ASP A  43
ALA A  38
GLY A  20
GLY A 147
SER A 126
 None
None
MG  A1175 ( 4.7A)
None
None
 1.27A 6clxA-4umfA:
2.7		 6clxA-4umfA:
22.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWD_A_GLYA717_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1hyb NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYLTRANSFERASE
(Methanothermobac
ter
thermautotrophic
us) 		4 / 5 SER A  45
ARG A 136
ASP A  48
ARG A  11
 None
SO4  A1759 (-3.1A)
None
SO4  A1759 ( 3.2A)
 1.28A 6dwdA-1hybA:
0.0		 6dwdA-1hybA:
16.54
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.
6FBP_B_ADNB404_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		 1t6p PHENYLALANINE
AMMONIA-LYASE
(Rhodotorula
toruloides) 		5 / 12 ASP A 396
ILE A 171
PRO A 217
SER A 175
ASP A 214
 None
None
None
None
175  A 211 ( 4.2A)
 1.45A 6fbpA-1t6pA:
undetectable
6fbpB-1t6pA:
undetectable		 6fbpA-1t6pA:
8.45
6fbpB-1t6pA:
8.45
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.
6FBV_D_FI8D1904_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		 3qwx CELL DEATH
ABNORMALITY PROTEIN
2
(Caenorhabditis
elegans) 		4 / 8 ARG X  45
GLU X  48
VAL X  82
ARG X  41
 None
None
None
SO4  X 175 (-3.1A)
 1.29A 6fbvD-3qwxX:
undetectable		 6fbvD-3qwxX:
8.97
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.
6FDY_U_DB8U302_1
(-)		 1z8l GLUTAMATE
CARBOXYPEPTIDASE II
(Homo
sapiens) 		5 / 9 LEU A 462
PRO A 510
VAL A 464
SER A 472
ILE A 512
 None
None
None
NAG  A1758 (-3.0A)
None
 0.98A 6fdyU-1z8lA:
undetectable		 6fdyU-1z8lA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HD6_A_STIA603_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4cw5 DFNA
(Bacillus
velezensis) 		4 / 5 LEU A 386
ILE A 556
MET A 332
GLY A 355
 FMN  A1753 (-3.2A)
None
FMN  A1753 (-3.6A)
None
 1.04A 6hd6A-4cw5A:
undetectable		 6hd6A-4cw5A:
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 11 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.49A 6mb5A-2xe4A:
undetectable		 6mb5A-2xe4A:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.44A 6mb7A-2xe4A:
0.0		 6mb7A-2xe4A:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.47A 6mb9A-2xe4A:
undetectable		 6mb9A-2xe4A:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB9_B_NMYB302_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.46A 6mb9B-2xe4A:
undetectable		 6mb9B-2xe4A:
7.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6MB9_C_NMYC302_0
(AAC(3)-IIIB PROTEIN)		 2xe4 OLIGOPEPTIDASE B
(Leishmania
major) 		5 / 10 TYR A 413
THR A 310
HIS A 308
GLY A 383
ASP A 382
 PGR  A1757 (-4.8A)
PGR  A1758 ( 3.8A)
PGR  A1744 ( 3.8A)
None
None
 1.47A 6mb9C-2xe4A:
undetectable		 6mb9C-2xe4A:
7.74