SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '008'


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.
1AM6_A_HAEA555_1
(CARBONIC ANHYDRASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2974
HIS B3106
HIS B3075
LEU B3093
 CUO  B9008 (-2.9A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
None
 0.97A 1am6A-4bedB:
undetectable		 1am6A-4bedB:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BZM_A_MZMA262_1
(CARBONIC ANHYDRASE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B3106
HIS B3075
HIS B2974
HIS B3079
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.5A)
 0.93A 1bzmA-4bedB:
undetectable		 1bzmA-4bedB:
9.18
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.
1DED_A_QPSA1001_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 12 TYR A2650
LEU A2166
LEU A2167
ASP A2210
ALA A2211
 GOL  A3008 (-3.3A)
None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
 0.70A 1dedA-4tvcA:
6.5		 1dedA-4tvcA:
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.
1DED_B_QPSB1501_1
(CYCLODEXTRIN
GLUCANOTRANSFERASE)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		7 / 12 TYR A2650
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
 GOL  A3008 (-3.3A)
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
 0.90A 1dedB-4tvcA:
7.7		 1dedB-4tvcA:
21.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		 3h1l MITOCHONDRIAL
UBIQUINOL-CYTOCHROME
-C REDUCTASE COMPLEX
CORE PROTEIN I
CYTOCHROME B
MITOCHONDRIAL
CYTOCHROME C1, HEME
PROTEIN
(Gallus
gallus;
Gallus
gallus;
Gallus
gallus) 		4 / 8 SER A 439
HIS C 222
PHE C 227
LYS D 226
 PEE  A2008 ( 4.1A)
PEE  A2008 (-4.1A)
None
None
 0.65A 1kb9A-3h1lA:
45.4
1kb9C-3h1lA:
undetectable
1kb9D-3h1lA:
undetectable
1kb9E-3h1lA:
undetectable		 1kb9A-3h1lA:
33.12
1kb9C-3h1lA:
21.04
1kb9D-3h1lA:
20.27
1kb9E-3h1lA:
18.16
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 4 HIS B 387
ALA B 386
PHE B 385
GLY B 333
 CLA  B1226 (-4.1A)
CLA  B1226 ( 4.4A)
BCR  B4008 (-4.8A)
BCR  B4008 ( 4.6A)
 1.39A 1mj2D-6fosB:
undetectable		 1mj2D-6fosB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_4
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 4 THR L 162
LEU L 167
VAL L 170
LEU L 174
 None
None
MPD  S2008 ( 4.4A)
None
 0.78A 1mz9D-4u9iL:
undetectable		 1mz9D-4u9iL:
6.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 6 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.89A 1n13H-5v8kA:
undetectable
1n13K-5v8kA:
undetectable		 1n13H-5v8kA:
10.93
1n13K-5v8kA:
6.42
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.
1N13_J_AG2J7013_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 7 LEU A  30
LEU A  37
GLY A  38
GLU A 112
 GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
GBF  A1010 (-3.4A)
 0.90A 1n13G-5v8kA:
undetectable
1n13J-5v8kA:
undetectable		 1n13G-5v8kA:
6.42
1n13J-5v8kA:
10.93
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.
1NW5_A_SAMA401_1
(MODIFICATION
METHYLASE RSRI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		3 / 3 ASP A2689
HIS A2321
ASP A2643
 None
None
GOL  A3008 (-2.6A)
 0.85A 1nw5A-4tvcA:
undetectable		 1nw5A-4tvcA:
14.59
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.
1O86_A_LPRA702_2
(ANGIOTENSIN
CONVERTING ENZYME)		 4gl9 TYROSINE-PROTEIN
KINASE
(Mus
musculus) 		4 / 4 SER A1016
VAL A1075
PHE A1031
VAL A1010
 None
None
PTR  A1008 ( 4.7A)
PTR  A1008 ( 4.1A)
 1.45A 1o86A-4gl9A:
undetectable		 1o86A-4gl9A:
20.00
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.
1P6M_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.41A 1p6mA-4okdA:
undetectable
1p6mB-4okdA:
undetectable		 1p6mA-4okdA:
19.20
1p6mB-4okdA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PNL_B_PACB559_0
(PENICILLIN
AMIDOHYDROLASE)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		4 / 8 MET A 180
ALA A 100
ILE A 148
ASN A 101
 None
None
None
GOL  A1008 (-3.4A)
 1.14A 1pnlA-5j78A:
1.1
1pnlB-5j78A:
undetectable		 1pnlA-5j78A:
16.60
1pnlB-5j78A:
21.94
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.
1RS9_B_H4BB761_1
(NITRIC-OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.38A 1rs9A-4okdA:
undetectable
1rs9B-4okdA:
undetectable		 1rs9A-4okdA:
19.22
1rs9B-4okdA:
19.22
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.
1T03_P_TFOP822_1
(POL POLYPROTEIN
SYNTHETIC
OLIGONUCLEOTIDE
PRIMER)		 4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE
(Escherichia
coli;
Escherichia
virus
Qbeta) 		4 / 7 TYR A1051
ASP A1053
ASP A1054
HIS A1094
 C  G2008 ( 4.8A)
CA  A2502 (-2.7A)
CA  A2503 (-3.5A)
None
 1.32A 1t03A-4fwtA:
5.4		 1t03A-4fwtA:
18.64
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.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 3vw7 PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME
(Escherichia
virus
T4;
Homo
sapiens) 		4 / 7 VAL A 139
VAL A 195
TYR A 187
CYH A 184
 OLC  A2008 (-4.6A)
None
None
None
 1.26A 1t46A-3vw7A:
undetectable		 1t46A-3vw7A:
21.13
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.
1TDN_A_LEUA487_0
(L-AMINO ACID OXIDASE)		 3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM
(Serratia
plymuthica) 		4 / 7 ASN A 343
HIS A 349
PHE A 350
TRP A 312
 None
None
None
EDO  A8008 (-4.0A)
 1.49A 1tdnA-3gbdA:
undetectable		 1tdnA-3gbdA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V54_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 1v54A-4bedB:
undetectable		 1v54A-4bedB:
14.43
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.
1V54_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 1v54N-4bedB:
undetectable		 1v54N-4bedB:
14.43
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.
1V55_A_CUA517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.66A 1v55A-4bedB:
undetectable		 1v55A-4bedB:
14.43
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.
1V55_N_CUN517_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.66A 1v55N-4bedB:
undetectable		 1v55N-4bedB:
14.43
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.
1W2Z_B_CUB701_0
(AMINE OXIDASE,
COPPER CONTAINING)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3075
HIS B2974
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-2.9A)
 0.72A 1w2zB-4bedB:
undetectable		 1w2zB-4bedB:
16.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X70_A_715A801_1
(DIPEPTIDYL PEPTIDASE
IV)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		12 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 209
PHE A 357
TYR A 547
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.4A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.33A 1x70A-2bucA:
56.4		 1x70A-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 ARG A 358
SER A 630
TYR A 631
 008  A1767 ( 4.0A)
SO4  A1769 ( 3.0A)
None
 0.68A 1x70A-2bucA:
56.4		 1x70A-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X70_B_715B801_1
(DIPEPTIDYL PEPTIDASE
IV)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		12 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 209
ARG A 358
SER A 630
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.4A)
008  A1767 ( 4.0A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.61A 1x70B-2bucA:
56.0		 1x70B-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 PHE A 357
TYR A 547
TYR A 631
 008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
 0.25A 1x70B-2bucA:
56.0		 1x70B-2bucA:
88.05
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.
1YA3_A_STRA1001_2
(MINERALOCORTICOID
RECEPTOR)		 1dc1 BSOBI RESTRICTION
ENDONUCLEASE
(Geobacillus
stearothermophil
us) 		4 / 4 LEU A  63
LEU A  98
SER A  94
LEU A  73
 None
None
DIO  A1008 (-3.3A)
None
 1.11A 1ya3A-1dc1A:
0.0		 1ya3A-1dc1A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Z95_A_198A501_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
BR  A2008 (-4.0A)
None
None
None
 1.44A 1z95A-1jhdA:
0.0		 1z95A-1jhdA:
22.00
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		5 / 12 LEU A 104
LEU A 164
ALA A 167
GLN A  96
SER A  94
 None
None
SO4  A2008 ( 3.8A)
None
SO4  A2008 (-2.7A)
 1.41A 2aa5B-5kf7A:
undetectable		 2aa5B-5kf7A:
12.22
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.
2ADM_B_SAMB500_0
(ADENINE-N6-DNA-METHY
LTRANSFERASE TAQI)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		5 / 11 VAL A 553
THR A 552
ALA A 363
ILE A 360
ALA A 414
 BCR  A6008 (-3.9A)
CLA  A1124 (-3.5A)
BCR  A6008 (-3.7A)
BCR  A6007 ( 4.5A)
BCR  A6007 ( 3.8A)
 1.15A 2admB-4rkuA:
undetectable		 2admB-4rkuA:
19.22
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.
2AOX_A_THAA400_1
(HISTAMINE
N-METHYLTRANSFERASE)		 3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM
(Serratia
plymuthica) 		4 / 8 PHE A 317
PHE A 524
TYR A 509
TYR A 496
 None
EDO  A8008 ( 4.8A)
None
None
 1.21A 2aoxA-3gbdA:
undetectable		 2aoxA-3gbdA:
19.13
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.
2DYR_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 2dyrA-4bedB:
undetectable		 2dyrA-4bedB:
14.43
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 ASP B3030
THR B3031
TYR B3088
HIS B3106
 None
None
None
CUO  B9008 (-3.3A)
 1.50A 2dyrA-4bedB:
undetectable
2dyrC-4bedB:
undetectable		 2dyrA-4bedB:
14.43
2dyrC-4bedB:
9.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DYR_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.70A 2dyrN-4bedB:
undetectable		 2dyrN-4bedB:
14.43
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.
2DYS_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 2dysA-4bedB:
undetectable		 2dysA-4bedB:
14.43
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.
2DYS_N_CUN601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 2dysN-4bedB:
undetectable		 2dysN-4bedB:
14.43
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.
2EIJ_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.65A 2eijA-4bedB:
0.2		 2eijA-4bedB:
14.43
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.
2EIJ_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.66A 2eijN-4bedB:
undetectable		 2eijN-4bedB:
14.43
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.
2EIK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.65A 2eikA-4bedB:
undetectable		 2eikA-4bedB:
14.43
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.
2EIK_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 2eikN-4bedB:
undetectable		 2eikN-4bedB:
14.43
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.
2EIL_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 2eilA-4bedB:
undetectable		 2eilA-4bedB:
14.43
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.
2EIL_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.70A 2eilN-4bedB:
undetectable		 2eilN-4bedB:
14.43
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.
2EIM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 2eimA-4bedB:
undetectable		 2eimA-4bedB:
14.43
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.
2EIM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 2eimN-4bedB:
undetectable		 2eimN-4bedB:
14.43
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.
2H77_A_T3A1_1
(THRA PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
(Pisum
sativum) 		5 / 12 MET A 418
ALA A 356
SER A 359
LEU A 432
ILE A 349
 None
BCR  A6007 ( 3.8A)
BCR  A6008 ( 3.7A)
CLA  A1122 ( 4.8A)
None
 1.15A 2h77A-4rkuA:
undetectable		 2h77A-4rkuA:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		4 / 7 TYR A 138
TYR A  70
HIS A 356
GLY A 355
 None
None
None
EDO  A9008 (-3.5A)
 1.17A 2ha4B-1xc6A:
undetectable		 2ha4B-1xc6A:
21.12
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.
2HC4_A_VDXA525_1
(VITAMIN D RECEPTOR)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 VAL B3078
HIS B3075
LEU B3109
HIS B3106
LEU B3236
 None
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.3A)
None
 1.38A 2hc4A-4bedB:
undetectable		 2hc4A-4bedB:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRE_B_CHDB701_0
(FERROCHELATASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		3 / 3 LYS A 330
GLY A 511
PRO A 512
 None
None
MAN  A3008 (-4.3A)
 0.94A 2hreB-1xc6A:
undetectable		 2hreB-1xc6A:
15.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_A_SAMA1001_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		12 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 216
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.11A 2igtA-2igtA:
55.4		 2igtA-2igtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_B_SAMB1002_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		12 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 216
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.5A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.13A 2igtB-2igtA:
52.2		 2igtB-2igtA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		11 / 12 PHE A 113
PHE A 140
TYR A 142
ALA A 162
SER A 163
ALA A 166
ALA A 191
PRO A 213
GLY A 218
TRP A 224
TYR A 253
 FMT  A1013 ( 3.5A)
SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-3.5A)
ACY  A1008 ( 2.6A)
SAM  A1001 ( 3.9A)
SAM  A1001 (-3.6A)
SAM  A1001 (-3.2A)
SAM  A1001 (-3.7A)
None
SAM  A1001 (-4.7A)
 0.08A 2igtC-2igtA:
51.6		 2igtC-2igtA:
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.
2IGT_C_SAMC1003_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 5y0m -
(-) 		5 / 12 TYR A 146
ALA A 185
SER A 186
GLY A 182
TYR A 112
 GOL  A1006 ( 4.8A)
None
CL  A1008 ( 4.5A)
None
None
 1.24A 2igtC-5y0mA:
undetectable		 2igtC-5y0mA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIQ_A_STIA1001_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		 2ynk WZI
(Escherichia
coli) 		4 / 5 LEU A 119
VAL A  27
LEU A  85
ARG A  34
 D12  A1008 ( 4.6A)
None
None
None
 1.09A 2oiqA-2ynkA:
undetectable		 2oiqA-2ynkA:
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.
2OQE_E_CUE801_0
(PEROXISOMAL COPPER
AMINE OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 LEU B3109
HIS B3079
HIS B3075
HIS B3105
 None
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
None
 1.36A 2oqeE-4bedB:
undetectable		 2oqeE-4bedB:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OWC_A_ACRA600_1
(4-ALPHA-GLUCANOTRANS
FERASE)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 11 TYR A2650
ASP A2210
HIS A2321
ASP A2322
ASN A2596
 GOL  A3008 (-3.3A)
GOL  A3008 (-2.7A)
None
None
None
 1.29A 2owcA-4tvcA:
2.2		 2owcA-4tvcA:
18.28
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 HIS B2974
HIS B2946
GLY B3237
HIS B2965
HIS B3075
 CUO  B9008 (-2.9A)
CUO  B9008 (-3.1A)
None
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
 0.89A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
2PGR_A_DCFA501_1
(ADENOSINE DEAMINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 HIS B3075
HIS B3079
ASP B3099
HIS B3106
HIS B2974
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
None
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 1.03A 2pgrA-4bedB:
undetectable		 2pgrA-4bedB:
12.78
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.
2Q7I_A_TESA205_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
 None
None
BR  A2008 (-4.0A)
None
None
 1.46A 2q7iA-1jhdA:
undetectable		 2q7iA-1jhdA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q7L_A_TESA155_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
 None
None
BR  A2008 (-4.0A)
None
None
 1.46A 2q7lA-1jhdA:
undetectable		 2q7lA-1jhdA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASN A 319
ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.91A 2qmjA-5jouA:
35.2		 2qmjA-5jouA:
23.92
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.
2QMJ_A_ACRA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASN A 319
ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.17A 2qmjA-5jouA:
35.2		 2qmjA-5jouA:
23.92
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.
2QQD_B_AG2B671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		 5v8k P800 REACTION CENTER
CORE PROTEIN
(Heliobacterium
modesticaldum) 		4 / 8 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.84A 2qqdB-5v8kA:
undetectable
2qqdC-5v8kA:
undetectable		 2qqdB-5v8kA:
11.44
2qqdC-5v8kA:
14.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 GLU A 205
GLU A 206
PHE A 357
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
None
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
None
SO4  A1769 ( 4.1A)
 0.55A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		9 / 12 GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
 0.74A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
PHE A 357
SER A 630
VAL A 656
VAL A 711
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 3.0A)
None
None
 1.38A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
PHE A 357
TYR A 547
SER A 630
VAL A 656
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
 1.39A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_A_356A901_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TRP A 629
TYR A 634
TYR A 662
VAL A 711
HIS A 740
 None
None
008  A1767 (-4.4A)
None
SO4  A1769 ( 4.1A)
 1.09A 2rguA-2bucA:
55.8		 2rguA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		10 / 11 GLU A 205
GLU A 206
TRP A 629
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
None
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
None
SO4  A1769 ( 4.1A)
 0.56A 2rguB-2bucA:
55.7		 2rguB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		7 / 11 GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
 008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
 0.62A 2rguB-2bucA:
55.7		 2rguB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 11 GLU A 205
TYR A 547
TYR A 631
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
 1.27A 2rguB-2bucA:
55.7		 2rguB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2RGU_B_356B902_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 11 TRP A 629
TYR A 634
TYR A 662
VAL A 711
HIS A 740
 None
None
008  A1767 (-4.4A)
None
SO4  A1769 ( 4.1A)
 1.07A 2rguB-2bucA:
55.7		 2rguB-2bucA:
88.19
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.
2VN1_A_FK5A501_2
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 6 LEU B 173
SER B 327
PHE B 330
ASP B 395
 None
None
BCR  B4008 (-4.5A)
None
 1.33A 2vn1B-6fosB:
undetectable		 2vn1B-6fosB:
17.74
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.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2974
HIS B3075
HIS B3106
HIS B2965
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.3A)
CUO  B9008 (-3.2A)
 0.83A 2wkoA-4bedB:
undetectable		 2wkoA-4bedB:
6.40
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.
2WKO_A_CUA154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B3075
HIS B3106
HIS B2974
HIS B3079
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.5A)
 1.01A 2wkoA-4bedB:
undetectable		 2wkoA-4bedB:
6.40
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.
2WKO_F_CUF154_0
(SUPEROXIDE DISMUTASE
[CU-ZN])		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2974
HIS B3075
HIS B3106
HIS B2965
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.3A)
CUO  B9008 (-3.2A)
 0.83A 2wkoF-4bedB:
undetectable		 2wkoF-4bedB:
6.40
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.
2X2I_A_QPSA1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 561
ASP A 441
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.95A 2x2iA-5jouA:
30.0		 2x2iA-5jouA:
23.43
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.
2X2I_A_QPSA1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		5 / 12 THR A 156
SER A 163
VAL A  99
GLY A 148
ALA A 144
 None
SO4  A2008 ( 4.3A)
None
None
None
 0.89A 2x2iA-5kf7A:
6.2		 2x2iA-5kf7A:
21.91
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 561
ASP A 441
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.94A 2x2iB-5jouA:
30.0		 2x2iB-5jouA:
23.43
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.
2X2I_C_QPSC1060_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5kf7 BIFUNCTIONAL PROTEIN
PUTA
(Sinorhizobium
meliloti) 		5 / 12 THR A 156
SER A 163
VAL A  99
GLY A 148
ALA A 144
 None
SO4  A2008 ( 4.3A)
None
None
None
 0.86A 2x2iC-5kf7A:
2.1		 2x2iC-5kf7A:
21.91
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
ASP A 553
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.32A 2x2iD-5jouA:
29.3		 2x2iD-5jouA:
23.43
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.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 561
ASP A 441
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.90A 2x2iD-5jouA:
29.3		 2x2iD-5jouA:
23.43
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.
2XDC_C_DVAC8_0
(GRAMICIDIN A)		 1m56 CYTOCHROME C OXIDASE
(Rhodobacter
sphaeroides) 		3 / 3 VAL C  63
TRP C  58
TRP C  59
 PEH  C2008 (-4.2A)
None
PEH  C2008 ( 3.9A)
 1.13A 2xdcC-1m56C:
undetectable
2xdcD-1m56C:
undetectable		 2xdcC-1m56C:
5.35
2xdcD-1m56C:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 2y69A-4bedB:
undetectable		 2y69A-4bedB:
14.43
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.
2Y69_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 2y69N-4bedB:
undetectable		 2y69N-4bedB:
14.43
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.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
 None
None
BR  A2008 (-4.0A)
None
None
 1.43A 2yloA-1jhdA:
undetectable		 2yloA-1jhdA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZLC_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 VAL B3078
HIS B3075
LEU B3109
HIS B3106
LEU B3236
 None
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.3A)
None
 1.42A 2zlcA-4bedB:
undetectable		 2zlcA-4bedB:
10.02
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.
2ZVJ_A_SAMA301_1
(CATECHOL
O-METHYLTRANSFERASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		4 / 6 TYR A 181
SER A 628
GLN A 641
ASP A 553
 EDO  A1009 (-3.5A)
None
None
EDO  A1008 (-2.7A)
 1.38A 2zvjA-5jouA:
undetectable		 2zvjA-5jouA:
13.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.71A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
2ZWE_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.48A 2zweA-4bedB:
21.3
2zweB-4bedB:
undetectable		 2zweA-4bedB:
10.39
2zweB-4bedB:
5.66
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.73A 2zwfA-4bedB:
21.3
2zwfB-4bedB:
undetectable		 2zwfA-4bedB:
10.39
2zwfB-4bedB:
5.66
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.45A 2zwfA-4bedB:
21.3
2zwfB-4bedB:
undetectable		 2zwfA-4bedB:
10.39
2zwfB-4bedB:
5.66
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.43A 2zwfA-4bedB:
21.3
2zwfB-4bedB:
undetectable		 2zwfA-4bedB:
10.39
2zwfB-4bedB:
5.66
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.70A 2zwgA-4bedB:
23.1
2zwgB-4bedB:
undetectable		 2zwgA-4bedB:
10.39
2zwgB-4bedB:
5.66
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 11 HIS B2946
HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.39A 2zwgA-4bedB:
23.1
2zwgB-4bedB:
undetectable		 2zwgA-4bedB:
10.39
2zwgB-4bedB:
5.66
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B3079
HIS B3075
HIS B2974
HIS B2946
SER B3096
 CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.1A)
CUO  B9008 ( 4.7A)
 1.44A 2zwgA-4bedB:
23.1
2zwgB-4bedB:
undetectable		 2zwgA-4bedB:
10.39
2zwgB-4bedB:
5.66
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.
2ZXW_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.75A 2zxwN-4bedB:
undetectable		 2zxwN-4bedB:
14.43
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.
3ABK_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 3abkA-4bedB:
undetectable		 3abkA-4bedB:
14.43
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.
3ABM_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 3abmA-4bedB:
undetectable		 3abmA-4bedB:
14.43
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.
3ABM_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 3abmN-4bedB:
undetectable		 3abmN-4bedB:
14.43
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.65A 3ag1A-4bedB:
undetectable		 3ag1A-4bedB:
14.43
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.
3AG1_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.74A 3ag1A-4bedB:
undetectable		 3ag1A-4bedB:
14.43
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.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 3ag1N-4bedB:
1.1		 3ag1N-4bedB:
14.43
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.
3AG1_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.75A 3ag1N-4bedB:
1.1		 3ag1N-4bedB:
14.43
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.
3AG2_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 3ag2A-4bedB:
undetectable		 3ag2A-4bedB:
14.43
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.
3AG2_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 3ag2N-4bedB:
undetectable		 3ag2N-4bedB:
14.43
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.
3AG3_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 3ag3A-4bedB:
undetectable		 3ag3A-4bedB:
14.43
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.
3AG3_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.71A 3ag3N-4bedB:
undetectable		 3ag3N-4bedB:
14.43
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.56A 3ag4A-4bedB:
undetectable		 3ag4A-4bedB:
14.43
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.
3AG4_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.70A 3ag4A-4bedB:
undetectable		 3ag4A-4bedB:
14.43
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.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.57A 3ag4N-4bedB:
undetectable		 3ag4N-4bedB:
14.43
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.
3AG4_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.72A 3ag4N-4bedB:
undetectable		 3ag4N-4bedB:
14.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		8 / 12 LEU A2166
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.75A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.34A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_A_ACRA5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		6 / 12 LEU A2167
ARG A2208
ASP A2210
HIS A2321
ASP A2322
GLN A2694
 None
None
GOL  A3008 (-2.7A)
None
None
GOL  A3008 (-3.2A)
 1.32A 3aicA-4tvcA:
48.8		 3aicA-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		7 / 12 LEU A2166
ALA A2211
GLU A2248
ARG A2269
ASP A2322
ASP A2643
GLN A2694
 None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.81A 3aicB-4tvcA:
48.4		 3aicB-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_B_ACRB5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.34A 3aicB-4tvcA:
48.4		 3aicB-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_C_ACRC5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
TYR A2650
GLN A2694
 None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.3A)
GOL  A3008 (-3.2A)
 0.27A 3aicC-4tvcA:
49.4		 3aicC-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.69A 3aicD-4tvcA:
49.4		 3aicD-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.34A 3aicD-4tvcA:
49.4		 3aicD-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_D_ACRD5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		6 / 12 LEU A2167
ARG A2208
ASP A2210
HIS A2321
ASP A2322
GLN A2694
 None
None
GOL  A3008 (-2.7A)
None
None
GOL  A3008 (-3.2A)
 1.35A 3aicD-4tvcA:
49.4		 3aicD-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		10 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.65A 3aicE-4tvcA:
49.4		 3aicE-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_E_ACRE5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		6 / 12 LEU A2167
ARG A2208
ASP A2210
ARG A2269
HIS A2321
ASP A2322
 None
None
GOL  A3008 (-2.7A)
None
None
None
 1.43A 3aicE-4tvcA:
49.4		 3aicE-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		8 / 12 LEU A2166
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.78A 3aicF-4tvcA:
48.8		 3aicF-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_F_ACRF5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.36A 3aicF-4tvcA:
48.8		 3aicF-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ALA A2211
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.73A 3aicG-4tvcA:
49.5		 3aicG-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_G_ACRG5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.33A 3aicG-4tvcA:
49.5		 3aicG-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		9 / 12 LEU A2166
ARG A2208
ASP A2210
ALA A2211
GLU A2248
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
None
GOL  A3008 (-2.7A)
GOL  A3008 ( 3.8A)
GOL  A3008 ( 4.5A)
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.32A 3aicH-4tvcA:
49.3		 3aicH-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		7 / 12 LEU A2166
GLU A2248
ARG A2269
HIS A2321
ASP A2322
ASP A2643
GLN A2694
 None
GOL  A3008 ( 4.5A)
None
None
None
GOL  A3008 (-2.6A)
GOL  A3008 (-3.2A)
 0.77A 3aicH-4tvcA:
49.3		 3aicH-4tvcA:
38.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3AIC_H_ACRH5044_1
(GLUCOSYLTRANSFERASE-
SI)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 12 LEU A2167
ARG A2208
ASP A2210
HIS A2321
ASP A2322
 None
None
GOL  A3008 (-2.7A)
None
None
 0.96A 3aicH-4tvcA:
49.3		 3aicH-4tvcA:
38.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ARR_A_PNXA606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 7 GLY A 253
ASP A 280
TRP A 285
ARG A 340
 GOL  A1008 (-3.5A)
None
None
None
 0.97A 3arrA-1itxA:
45.2		 3arrA-1itxA:
29.74
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.
3ARU_A_PNXA606_1
(CHITINASE A)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		4 / 7 GLY A 253
ASP A 280
TRP A 285
ARG A 340
 GOL  A1008 (-3.5A)
None
None
None
 1.00A 3aruA-1itxA:
44.9		 3aruA-1itxA:
29.57
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.
3ASN_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 3asnA-4bedB:
undetectable		 3asnA-4bedB:
14.43
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.
3ASN_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 3asnN-4bedB:
undetectable		 3asnN-4bedB:
14.43
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.
3ASO_A_CUA517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 3asoA-4bedB:
undetectable		 3asoA-4bedB:
14.43
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.
3ASO_N_CUN517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 3asoN-4bedB:
undetectable		 3asoN-4bedB:
14.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.66A 3bjmA-2bucA:
55.9		 3bjmA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.37A 3bjmA-2bucA:
55.9		 3bjmA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		6 / 12 GLU A 205
TYR A 547
TYR A 631
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
None
 1.16A 3bjmA-2bucA:
55.9		 3bjmA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_A_BJMA1_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.00A 3bjmA-2bucA:
55.9		 3bjmA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.72A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.42A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3BJM_B_BJMB2_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
PHE A 357
TYR A 547
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
 1.42A 3bjmB-2bucA:
56.3		 3bjmB-2bucA:
88.19
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.
3BXO_A_SAMA238_1
(N,N-DIMETHYLTRANSFER
ASE)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 TYR A 670
GLU A 205
ASP A 739
 None
008  A1767 (-3.9A)
None
 0.72A 3bxoA-2bucA:
undetectable		 3bxoA-2bucA:
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.
3BXO_B_SAMB238_1
(N,N-DIMETHYLTRANSFER
ASE)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 TYR A 670
GLU A 205
ASP A 739
 None
008  A1767 (-3.9A)
None
 0.75A 3bxoB-2bucA:
3.7		 3bxoB-2bucA:
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.
3DTU_A_CUA1023_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 3dtuA-4bedB:
undetectable		 3dtuA-4bedB:
15.75
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.
3DTU_C_CUC569_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 3dtuC-4bedB:
undetectable		 3dtuC-4bedB:
15.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.32A 3g0bA-2bucA:
53.2		 3g0bA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
SO4  A1769 ( 4.1A)
 0.54A 3g0bA-2bucA:
53.2		 3g0bA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.21A 3g0bA-2bucA:
53.2		 3g0bA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
TYR A 547
SER A 630
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
 1.28A 3g0bA-2bucA:
53.2		 3g0bA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_A_T22A800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.03A 3g0bA-2bucA:
53.2		 3g0bA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.33A 3g0bB-2bucA:
52.8		 3g0bB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
SO4  A1769 ( 4.1A)
 0.55A 3g0bB-2bucA:
52.8		 3g0bB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.19A 3g0bB-2bucA:
52.8		 3g0bB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
TYR A 547
SER A 630
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
 1.26A 3g0bB-2bucA:
52.8		 3g0bB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_B_T22B800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.08A 3g0bB-2bucA:
52.8		 3g0bB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.31A 3g0bC-2bucA:
52.6		 3g0bC-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		9 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
 0.59A 3g0bC-2bucA:
52.6		 3g0bC-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.17A 3g0bC-2bucA:
52.6		 3g0bC-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_C_T22C800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.08A 3g0bC-2bucA:
52.6		 3g0bC-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.35A 3g0bD-2bucA:
55.3		 3g0bD-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
SO4  A1769 ( 4.1A)
 0.55A 3g0bD-2bucA:
55.3		 3g0bD-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.18A 3g0bD-2bucA:
55.3		 3g0bD-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
TYR A 547
SER A 630
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
 1.22A 3g0bD-2bucA:
55.3		 3g0bD-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3G0B_D_T22D800_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.10A 3g0bD-2bucA:
55.3		 3g0bD-2bucA:
88.19
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.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 2okx RHAMNOSIDASE B
(Bacillus
sp.
GL1) 		3 / 3 MET A 820
MET A 764
PHE A 805
 None
GOL  A3008 (-4.8A)
None
 1.26A 3gn8A-2okxA:
undetectable		 3gn8A-2okxA:
14.07
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 MET A 833
GLY A 838
GLY A 837
LEU A 905
PRO A 906
 None
None
None
None
GOL  A3008 ( 4.7A)
 1.09A 3i5uA-4yswA:
undetectable		 3i5uA-4yswA:
14.26
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.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 12 MET A 833
GLY A 838
GLY A 837
LEU A 905
PRO A 906
 None
None
None
None
GOL  A3008 ( 4.7A)
 1.07A 3i5uB-4yswA:
undetectable		 3i5uB-4yswA:
14.26
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.
3IK3_A_0LIA1_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		 4u9i PERIPLASMIC [NIFE]
HYDROGENASE LARGE
SUBUNIT
(Desulfovibrio
vulgaris) 		4 / 7 LEU L 277
TYR L 273
VAL L 170
ILE L 207
 None
None
MPD  S2008 ( 4.4A)
None
 1.24A 3ik3A-4u9iL:
undetectable		 3ik3A-4u9iL:
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		 1itx GLYCOSYL HYDROLASE
(Bacillus
circulans) 		5 / 12 LEU A 333
GLY A 317
ALA A 254
PRO A 336
VAL A 335
 None
None
GOL  A1008 (-3.4A)
None
None
 0.94A 3jvyA-1itxA:
undetectable		 3jvyA-1itxA:
11.51
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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 ARG A 358
GLU A 206
TYR A 670
 008  A1767 ( 4.0A)
008  A1767 (-2.5A)
None
 0.92A 3k37B-2bucA:
2.2		 3k37B-2bucA:
20.43
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.
3L4W_A_MIGA1001_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.32A 3l4wA-5jouA:
35.2		 3l4wA-5jouA:
23.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 3ttb EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
paradoxus) 		5 / 12 GLY A 376
ASN A 375
GLU A 373
ASN A 492
HIS A 383
 None
HEC  A1008 ( 4.0A)
None
None
HEC  A1007 ( 3.1A)
 1.36A 3mekA-3ttbA:
undetectable		 3mekA-3ttbA:
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.
3N58_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 LEU B3236
THR B3212
GLU B3072
HIS B3106
 None
None
None
CUO  B9008 (-3.3A)
 1.49A 3n58C-4bedB:
undetectable		 3n58C-4bedB:
14.19
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.
3N5P_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.46A 3n5pA-4okdA:
undetectable
3n5pB-4okdA:
undetectable		 3n5pA-4okdA:
20.26
3n5pB-4okdA:
20.26
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.
3N5Q_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.33A 3n5qA-4okdA:
undetectable
3n5qB-4okdA:
0.0		 3n5qA-4okdA:
20.26
3n5qB-4okdA:
20.26
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.
3NLD_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.42A 3nldA-4okdA:
0.0
3nldB-4okdA:
undetectable		 3nldA-4okdA:
20.26
3nldB-4okdA:
20.26
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.
3NOS_A_H4BA511_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.46A 3nosA-4okdA:
undetectable
3nosB-4okdA:
undetectable		 3nosA-4okdA:
18.83
3nosB-4okdA:
18.83
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.
3NOS_B_H4BB1011_1
(ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.40A 3nosA-4okdA:
undetectable
3nosB-4okdA:
undetectable		 3nosA-4okdA:
18.83
3nosB-4okdA:
18.83
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.40A 3phaA-5jouA:
33.4		 3phaA-5jouA:
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.07A 3phaA-5jouA:
33.4		 3phaA-5jouA:
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.
3PHA_A_ACRA701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 TRP A 442
ASP A 553
ARG A 613
TRP A 627
ASP A 630
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
 1.39A 3phaA-5jouA:
33.4		 3phaA-5jouA:
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.42A 3phaB-5jouA:
33.6		 3phaB-5jouA:
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.
3PHA_B_ACRB701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.01A 3phaB-5jouA:
33.6		 3phaB-5jouA:
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.37A 3phaC-5jouA:
37.0		 3phaC-5jouA:
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.
3PHA_C_ACRC701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.05A 3phaC-5jouA:
37.0		 3phaC-5jouA:
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.39A 3phaD-5jouA:
36.7		 3phaD-5jouA:
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.
3PHA_D_ACRD701_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.02A 3phaD-5jouA:
36.7		 3phaD-5jouA:
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.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.34A 3pocA-5jouA:
36.9		 3pocA-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 TRP A 442
ASP A 441
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.81A 3pocA-5jouA:
36.9		 3pocA-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 TRP A 442
ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.98A 3pocA-5jouA:
36.9		 3pocA-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_A_ACRA664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 TRP A 442
ASP A 441
TRP A 551
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.20A 3pocA-5jouA:
36.9		 3pocA-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.33A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 TRP A 442
ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.00A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3POC_B_ACRB664_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 TRP A 442
ASP A 441
TRP A 551
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.20A 3pocB-5jouA:
36.4		 3pocB-5jouA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		 2ynk WZI
(Escherichia
coli) 		4 / 5 GLU A 139
LEU A 119
GLN A 113
GLY A  96
 None
D12  A1008 ( 4.6A)
None
D12  A1008 ( 4.2A)
 1.20A 3pp1A-2ynkA:
undetectable		 3pp1A-2ynkA:
19.31
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		 4fwt ELONGATION FACTOR
TS, ELONGATION
FACTOR TU, LINKER, Q
BETA REPLICASE
(Escherichia
coli;
Escherichia
virus
Qbeta) 		5 / 9 THR A1022
TYR A1051
GLY A1052
ASP A1053
ASP A1054
 None
C  G2008 ( 4.8A)
C  G2008 ( 4.0A)
CA  A2502 (-2.7A)
CA  A2503 (-3.5A)
 1.05A 3sfuA-4fwtA:
11.0		 3sfuA-4fwtA:
17.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SG9_B_KANB305_1
(APH(2'')-ID)		 1c30 CARBAMOYL PHOSPHATE
SYNTHETASE: LARGE
SUBUNIT
(Escherichia
coli) 		4 / 8 ASN A 843
ASP A 763
HIS A 781
GLU A 916
 K  A4008 (-3.3A)
None
K  A4009 (-3.9A)
None
 1.13A 3sg9B-1c30A:
1.5		 3sg9B-1c30A:
14.63
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.
3TGV_D_BEZD1_0
(HEME-BINDING PROTEIN
HUTZ)		 5kdx METALLOPEPTIDASE
(Pseudomonas
aeruginosa) 		4 / 6 GLN A 703
PHE A 722
PRO A 723
LEU A 698
 None
EDO  A1008 (-4.7A)
None
None
 1.38A 3tgvD-5kdxA:
undetectable		 3tgvD-5kdxA:
10.40
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.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.62A 3topA-5jouA:
32.2		 3topA-5jouA:
25.51
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.
3TOP_A_ACRA1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.95A 3topA-5jouA:
32.2		 3topA-5jouA:
25.51
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.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.61A 3topB-5jouA:
32.1		 3topB-5jouA:
25.51
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.
3TOP_B_ACRB1_1
(MALTASE-GLUCOAMYLASE
, INTESTINAL)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.94A 3topB-5jouA:
32.1		 3topB-5jouA:
25.51
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.
3V8V_A_SAMA801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 5gzt CHITINASE
(Paenibacillus
sp.
FPU-7) 		5 / 12 THR B 975
ASP B1015
VAL B 943
PRO B 980
LEU B 951
 FMT  B4008 (-4.4A)
None
None
None
None
 1.13A 3v8vA-5gztB:
undetectable		 3v8vA-5gztB:
20.26
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.
3V8V_A_SAMA802_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		6 / 9 PHE A 140
TYR A 142
ASP A 161
SER A 163
ASP A 190
PRO A 213
 SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
SAM  A1001 (-2.9A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.7A)
SAM  A1001 (-3.2A)
 0.63A 3v8vA-2igtA:
20.1		 3v8vA-2igtA:
18.74
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.
3V8V_B_SAMB802_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		6 / 12 PHE A 140
TYR A 142
SER A 163
ASP A 190
ASP A 211
PRO A 213
 SAM  A1001 (-4.4A)
FMT  A1013 ( 4.7A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.7A)
SAM  A1001 (-2.8A)
SAM  A1001 (-3.2A)
 0.76A 3v8vB-2igtA:
20.6		 3v8vB-2igtA:
18.74
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.
3VNS_A_DVAA602_0
(NRPS ADENYLATION
PROTEIN CYTC1)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		5 / 7 PHE A 212
ASP A 213
GLY A 282
THR A 309
PHE A 314
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-3.8A)
B6G  A1001 ( 4.7A)
 0.52A 3vnsA-5wmmA:
47.2		 3vnsA-5wmmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VYW_C_SAMC401_0
(MNMC2)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 GLY A 355
GLY A 359
TYR A 360
ALA A 100
LEU A 856
 EDO  A9008 (-3.5A)
None
None
None
None
 1.16A 3vywC-1xc6A:
undetectable		 3vywC-1xc6A:
15.02
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.
3VYW_C_SAMC401_0
(MNMC2)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		5 / 12 TYR A 363
GLY A 355
GLY A 359
TYR A 360
ALA A 100
 None
EDO  A9008 (-3.5A)
None
None
None
 1.08A 3vywC-1xc6A:
undetectable		 3vywC-1xc6A:
15.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.55A 3w2tA-2bucA:
55.3		 3w2tA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.25A 3w2tA-2bucA:
55.3		 3w2tA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
TYR A 547
SER A 630
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
008  A1767 (-4.4A)
None
 1.27A 3w2tA-2bucA:
55.3		 3w2tA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_A_LF7A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.04A 3w2tA-2bucA:
55.3		 3w2tA-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		12 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.50A 3w2tB-2bucA:
55.7		 3w2tB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		6 / 12 GLU A 205
TYR A 547
SER A 630
VAL A 656
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
None
 1.23A 3w2tB-2bucA:
55.7		 3w2tB-2bucA:
88.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3W2T_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.03A 3w2tB-2bucA:
55.7		 3w2tB-2bucA:
88.19
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASN A 319
ASP A 441
TRP A 551
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.09A 3w37A-5jouA:
34.1		 3w37A-5jouA:
25.54
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.
3W37_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.36A 3w37A-5jouA:
34.1		 3w37A-5jouA:
25.54
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASN A 319
ASP A 441
TRP A 551
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.09A 3welA-5jouA:
34.7		 3welA-5jouA:
25.54
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.
3WEL_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.39A 3welA-5jouA:
34.7		 3welA-5jouA:
25.54
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASN A 319
ASP A 441
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.13A 3wemA-5jouA:
34.4		 3wemA-5jouA:
25.54
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.
3WEM_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 441
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.46A 3wemA-5jouA:
34.4		 3wemA-5jouA:
25.54
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASN A 319
ASP A 441
TRP A 551
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.05A 3wenA-5jouA:
34.4		 3wenA-5jouA:
25.54
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.
3WEN_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.45A 3wenA-5jouA:
34.4		 3wenA-5jouA:
25.54
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASN A 319
ASP A 441
TRP A 551
ASP A 553
ARG A 613
HIS A 709
 None
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-4.0A)
 1.08A 3weoA-5jouA:
36.7		 3weoA-5jouA:
25.54
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.
3WEO_A_ACRA1001_1
(ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.39A 3weoA-5jouA:
36.7		 3weoA-5jouA:
25.54
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.
3WG7_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 3wg7A-4bedB:
undetectable		 3wg7A-4bedB:
14.43
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.
3WG7_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.75A 3wg7N-4bedB:
undetectable		 3wg7N-4bedB:
14.43
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.
3X2Q_A_CUA604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.70A 3x2qA-4bedB:
undetectable		 3x2qA-4bedB:
14.43
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.
3X2Q_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 3x2qN-4bedB:
undetectable		 3x2qN-4bedB:
14.43
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.
3ZQ8_A_DVAA8_0
(VAL-GRAMICIDIN A)		 1m56 CYTOCHROME C OXIDASE
(Rhodobacter
sphaeroides) 		3 / 3 VAL C  63
TRP C  58
TRP C  59
 PEH  C2008 (-4.2A)
None
PEH  C2008 ( 3.9A)
 1.16A 3zq8A-1m56C:
undetectable
3zq8B-1m56C:
undetectable		 3zq8A-1m56C:
5.35
3zq8B-1m56C:
5.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQT_A_TESA1000_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		5 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
 None
None
BR  A2008 (-4.0A)
None
None
 1.40A 3zqtA-1jhdA:
undetectable		 3zqtA-1jhdA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CTZ_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.30A 4ctzA-4okdA:
undetectable
4ctzB-4okdA:
undetectable		 4ctzA-4okdA:
19.91
4ctzB-4okdA:
19.91
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.
4CTZ_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.41A 4ctzA-4okdA:
undetectable
4ctzB-4okdA:
undetectable		 4ctzA-4okdA:
19.91
4ctzB-4okdA:
19.91
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.
4D35_B_H4BB600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 PHE A 615
GLU A 549
VAL A 537
ARG A 555
 None
None
None
GLC  A1008 (-3.1A)
 1.45A 4d35A-4okdA:
undetectable
4d35B-4okdA:
0.0		 4d35A-4okdA:
19.91
4d35B-4okdA:
19.91
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 3gbd SUCROSE ISOMERASE
SMUA FROM
PROTAMINOBACTER
RUBRUM
(Serratia
plymuthica) 		4 / 6 PHE A 524
ALA A 364
LEU A 368
THR A 367
 EDO  A8008 ( 4.8A)
None
None
None
 0.98A 4dtzA-3gbdA:
undetectable		 4dtzA-3gbdA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		5 / 11 ALA A 613
GLY A1217
GLY A 868
ASN A 908
HIS A 665
 None
None
None
None
GOL  A3008 (-3.9A)
 1.27A 4e47C-4yswA:
undetectable		 4e47C-4yswA:
12.02
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.
4EF3_A_CUA1003_0
(BLUE COPPER OXIDASE
CUEO)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B3106
HIS B3075
HIS B2946
HIS B2974
HIS B2965
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.2A)
 1.30A 4ef3A-4bedB:
undetectable		 4ef3A-4bedB:
15.04
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		4 / 8 ASN A 710
ASP A 708
VAL A 656
HIS A 704
 008  A1767 (-3.0A)
None
None
None
 1.22A 4f5zA-2bucA:
12.7		 4f5zA-2bucA:
15.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FFW_A_715A801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
ARG A 358
TYR A 547
SER A 630
VAL A 656
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 ( 4.0A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.56A 4ffwA-2bucA:
52.0		 4ffwA-2bucA:
81.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FFW_A_715A801_2
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 PHE A 357
TYR A 631
TYR A 666
 008  A1767 (-3.5A)
None
008  A1767 (-3.8A)
 0.25A 4ffwA-2bucA:
52.0		 4ffwA-2bucA:
81.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
PHE A 357
TYR A 547
SER A 630
VAL A 656
TYR A 662
TYR A 666
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
None
SO4  A1769 ( 4.1A)
 0.57A 4ffwB-2bucA:
51.3		 4ffwB-2bucA:
81.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
PHE A 357
TYR A 547
VAL A 656
TYR A 662
 008  A1767 (-3.9A)
008  A1767 (-3.5A)
SO4  A1769 ( 4.5A)
None
008  A1767 (-4.4A)
 1.30A 4ffwB-2bucA:
51.3		 4ffwB-2bucA:
81.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		3 / 3 ARG A 358
TYR A 631
ASN A 710
 008  A1767 ( 4.0A)
None
008  A1767 (-3.0A)
 0.80A 4ffwB-2bucA:
51.3		 4ffwB-2bucA:
81.92
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E
(Rattus
norvegicus) 		4 / 6 THR A 870
GLY A 868
PRO A 906
GLY A 664
 GOL  A3008 (-4.8A)
None
GOL  A3008 ( 4.7A)
None
 0.90A 4fjpA-4yswA:
undetectable		 4fjpA-4yswA:
13.67
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.
4K4Y_A_ACTA502_0
(RNA-DEPENDENT RNA
POLYMERASE)		 4ifq NUCLEOPORIN NUP192
(Saccharomyces
cerevisiae) 		4 / 5 LYS A 782
LEU A 781
GLU A 863
LEU A 864
 IOD  A1008 ( 4.1A)
None
None
None
 1.24A 4k4yA-4ifqA:
2.3		 4k4yA-4ifqA:
20.29
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.
4K4Y_I_ACTI503_0
(RNA-DEPENDENT RNA
POLYMERASE)		 4ifq NUCLEOPORIN NUP192
(Saccharomyces
cerevisiae) 		4 / 5 LYS A 782
LEU A 781
GLU A 863
LEU A 864
 IOD  A1008 ( 4.1A)
None
None
None
 1.25A 4k4yI-4ifqA:
2.4		 4k4yI-4ifqA:
20.29
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.
4K7A_A_MXDA1002_1
(ANDROGEN RECEPTOR)		 1m56 CYTOCHROME C OXIDASE
(Rhodobacter
sphaeroides) 		3 / 3 GLU C 241
TRP C 245
LYS C 236
 None
PEH  C2013 (-3.3A)
PEH  C2008 ( 4.3A)
 1.43A 4k7aA-1m56C:
0.9		 4k7aA-1m56C:
18.64
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.
4OK1_A_198A1001_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		6 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
None
BR  A2008 (-4.0A)
None
None
None
 1.42A 4ok1A-1jhdA:
undetectable		 4ok1A-1jhdA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OKT_A_198A1001_1
(ANDROGEN RECEPTOR)		 1jhd SULFATE
ADENYLYLTRANSFERASE
(Sulfur-oxidizing
endosymbiont
of
Riftia
pachyptila) 		6 / 12 LEU A 230
LEU A 229
GLN A 199
VAL A 226
ARG A 284
ILE A 238
 None
None
BR  A2008 (-4.0A)
None
None
None
 1.45A 4oktA-1jhdA:
undetectable		 4oktA-1jhdA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_A_DAHA305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.54A 4p6sA-4bedB:
21.9		 4p6sA-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_B_DAHB305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.66A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_B_DAHB305_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B3075
ASN B3076
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
 0.49A 4p6sB-4bedB:
10.1		 4p6sB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 PRO B3143
VAL B2964
HIS B2965
 None
None
CUO  B9008 (-3.2A)
 0.64A 4pevC-4bedB:
undetectable		 4pevC-4bedB:
13.47
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.
4PTJ_A_FOLA201_1
(DIHYDROFOLATE
REDUCTASE)		 5w21 KLOTHO
FIBROBLAST GROWTH
FACTOR 23
(Homo
sapiens;
Homo
sapiens) 		3 / 3 ASP A 426
LYS A 429
LEU B 193
 ZN  A1008 (-2.2A)
None
None
 1.00A 4ptjA-5w21A:
undetectable		 4ptjA-5w21A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q5M_A_ROCA1101_1
(PROTEASE)		 1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3
(Saccharomyces
cerevisiae) 		5 / 12 ASP A 146
ILE A 142
THR A 240
VAL A 234
THR A  58
 None
NAG  A2002 ( 4.8A)
None
None
MAN  A3008 ( 4.5A)
 0.87A 4q5mA-1zpuA:
undetectable		 4q5mA-1zpuA:
15.76
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.
4Q5M_A_ROCA1101_3
(PROTEASE)		 5wtl OMPA FAMILY PROTEIN
(Capnocytophaga
gingivalis) 		3 / 3 ASP A 281
ASP A 283
ASN A 301
 CA  A1008 ( 2.8A)
CA  A1007 ( 2.7A)
None
 0.77A 4q5mA-5wtlA:
undetectable		 4q5mA-5wtlA:
15.27
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.
4QT2_A_RAPA202_1
(FK506-BINDING
PROTEIN (FKBP)-TYPE
PEPTIDYL-PROPYL
ISOMERASE)		 5kdx METALLOPEPTIDASE
(Pseudomonas
aeruginosa) 		5 / 10 GLU A 580
VAL A 588
ILE A 664
TYR A 681
PHE A 618
 None
None
None
None
EDO  A1008 (-4.4A)
 1.41A 4qt2A-5kdxA:
undetectable		 4qt2A-5kdxA:
8.59
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 GLY B 383
GLY B 333
ILE B 381
ILE B 390
ALA B 386
 CLA  B1226 (-3.4A)
BCR  B4008 ( 4.6A)
CLA  B1222 (-3.7A)
CLA  B1226 (-4.3A)
CLA  B1226 ( 4.4A)
 1.07A 4qtuD-6fosB:
undetectable		 4qtuD-6fosB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R88_A_1LDA501_0
(CYTOSINE DEAMINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 12 HIS B2974
LEU B3093
PHE B2970
HIS B3075
HIS B3079
 CUO  B9008 (-2.9A)
None
None
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 1.35A 4r88A-4bedB:
undetectable		 4r88A-4bedB:
13.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RZV_A_032A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 5wfc HISTONE-LYSINE-N-MET
HYLTRANSFERASE EZH2,
POLYCOMB PROTEIN
SUZ12 CHIMERA
(Chaetomium
thermophilum) 		4 / 5 ILE B2669
VAL B2668
CYH B 570
HIS B 567
 None
None
ZN  B8008 (-2.2A)
None
 1.37A 4rzvA-5wfcB:
undetectable		 4rzvA-5wfcB:
14.39
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.
4UH8_A_H4BA600_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.37A 4uh8A-4okdA:
undetectable
4uh8B-4okdA:
undetectable		 4uh8A-4okdA:
19.91
4uh8B-4okdA:
19.91
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.
4USW_A_ACTA1470_0
(ADENYLATE CYCLASE
TYPE 10)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		4 / 6 LEU A 877
VAL A 878
ARG A 421
PHE A 423
 None
None
None
CA  A1008 ( 4.4A)
 1.06A 4uswA-5wmmA:
undetectable		 4uswA-5wmmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XEY_A_1N1A601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4xj5 CYCLIC AMP-GMP
SYNTHASE
(Vibrio
cholerae) 		3 / 3 MET A  19
ASP A 118
PHE A 115
 None
EDO  A1008 (-3.7A)
EDO  A1008 (-4.2A)
 1.04A 4xeyA-4xj5A:
undetectable		 4xeyA-4xj5A:
21.75
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.
4XEY_B_1N1B601_2
(TYROSINE-PROTEIN
KINASE ABL1)		 4xj5 CYCLIC AMP-GMP
SYNTHASE
(Vibrio
cholerae) 		3 / 3 MET A  19
ASP A 118
PHE A 115
 None
EDO  A1008 (-3.7A)
EDO  A1008 (-4.2A)
 1.07A 4xeyB-4xj5A:
undetectable		 4xeyB-4xj5A:
21.75
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.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		 2exh BETA-D-XYLOSIDASE
(Geobacillus
stearothermophil
us) 		3 / 3 LEU A  62
ASP A 118
ILE A  65
 GOL  A2008 ( 4.8A)
None
None
 0.63A 4xi3D-2exhA:
undetectable		 4xi3D-2exhA:
18.11
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.
4YMG_B_SAMB1001_0
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 2igt SAM DEPENDENT
METHYLTRANSFERASE
(Agrobacterium
fabrum) 		5 / 12 GLY A 141
TYR A 142
SER A 163
ALA A 191
ASP A 211
 None
FMT  A1013 ( 4.7A)
ACY  A1008 ( 2.6A)
SAM  A1001 (-3.6A)
SAM  A1001 (-2.8A)
 1.29A 4ymgB-2igtA:
13.9		 4ymgB-2igtA:
23.75
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.
4ZBQ_A_DIFA601_1
(SERUM ALBUMIN)		 1jfx 1,4-BETA-N-ACETYLMUR
AMIDASE M1
(Streptomyces
coelicolor) 		5 / 11 PHE A 123
LEU A  97
GLY A  72
SER A  70
ARG A  66
 None
None
None
CL  A1008 (-3.2A)
None
 1.31A 4zbqA-1jfxA:
undetectable		 4zbqA-1jfxA:
16.70
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.
4ZDY_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		3 / 3 ALA A 573
TYR A 574
PRO A 512
 None
None
MAN  A3008 (-4.3A)
 0.66A 4zdyA-1xc6A:
undetectable		 4zdyA-1xc6A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE2_A_1YNA602_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1xc6 BETA-GALACTOSIDASE
(Penicillium
sp.) 		4 / 5 ALA A 573
TYR A 574
HIS A 435
PRO A 512
 None
None
None
MAN  A3008 (-4.3A)
 1.06A 4ze2A-1xc6A:
undetectable		 4ze2A-1xc6A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		4 / 7 PHE A 212
ASP A 213
GLY A 282
THR A 309
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-3.8A)
 0.36A 4zxiA-5wmmA:
44.0		 4zxiA-5wmmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ADL_A_H4BA600_1
(ENDOTHELIAL NITRIC
OXIDE SYNTHASE)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.40A 5adlA-4okdA:
0.0
5adlB-4okdA:
undetectable		 5adlA-4okdA:
19.91
5adlB-4okdA:
19.91
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.
5B1A_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.71A 5b1aA-4bedB:
undetectable		 5b1aA-4bedB:
14.43
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.
5B1A_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 5b1aN-4bedB:
0.3		 5b1aN-4bedB:
14.43
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.
5B1B_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 5b1bA-4bedB:
undetectable		 5b1bA-4bedB:
14.43
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.
5B1B_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 5b1bN-4bedB:
undetectable		 5b1bN-4bedB:
14.43
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.
5B3S_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.70A 5b3sA-4bedB:
undetectable		 5b3sA-4bedB:
14.43
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.
5B3S_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 5b3sN-4bedB:
undetectable		 5b3sN-4bedB:
14.43
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.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 3ttb EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
paradoxus) 		5 / 12 GLY A 376
ASN A 375
GLU A 373
ASN A 492
HIS A 383
 None
HEC  A1008 ( 4.0A)
None
None
HEC  A1007 ( 3.1A)
 1.37A 5ccmA-3ttbA:
undetectable		 5ccmA-3ttbA:
20.00
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.
5CSY_B_ACRB601_1
(4-ALPHA-GLUCANOTRANS
FERASE DPE1,
CHLOROPLASTIC/AMYLOP
LASTIC)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 12 ARG A2208
ASP A2210
GLU A2248
HIS A2321
ASP A2322
 None
GOL  A3008 (-2.7A)
GOL  A3008 ( 4.5A)
None
None
 0.79A 5csyB-4tvcA:
3.2		 5csyB-4tvcA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3s7w EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
nitratireducens) 		5 / 12 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
None
HEC  A1008 ( 4.2A)
 1.45A 5d0yA-3s7wA:
undetectable		 5d0yA-3s7wA:
16.63
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3ttb EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
paradoxus) 		5 / 12 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
HEC  A1007 ( 4.8A)
HEC  A1008 (-4.3A)
 1.41A 5d0yA-3ttbA:
undetectable		 5d0yA-3ttbA:
15.57
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.
5D0Y_A_FOLA201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3vi3 INTEGRIN ALPHA-5
(Homo
sapiens) 		5 / 12 GLY A 333
ASP A 243
ASN A 266
THR A 245
VAL A 249
 None
CA  A2001 (-2.7A)
NAG  A2008 (-1.9A)
CA  A2001 (-4.8A)
None
 0.87A 5d0yA-3vi3A:
undetectable		 5d0yA-3vi3A:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3s7w EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
nitratireducens) 		5 / 12 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
None
HEC  A1008 ( 4.2A)
 1.43A 5d0yB-3s7wA:
undetectable		 5d0yB-3s7wA:
16.63
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.
5D0Y_B_FOLB201_0
(CONSERVED
HYPOTHETICAL
MEMBRANE PROTEIN)		 3ttb EIGHT-HEME NITRITE
REDUCTASE
(Thioalkalivibrio
paradoxus) 		5 / 12 SER A 487
PHE A 367
THR A 366
ASN A 293
VAL A 377
 None
HEC  A1007 (-4.3A)
None
HEC  A1007 ( 4.8A)
HEC  A1008 (-4.3A)
 1.39A 5d0yB-3ttbA:
undetectable		 5d0yB-3ttbA:
15.57
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.
5EEI_B_SHHB801_1
(HDAC6 PROTEIN)		 2exh BETA-D-XYLOSIDASE
(Geobacillus
stearothermophil
us) 		5 / 12 PRO A 349
GLY A  37
PHE A  35
ASP A  91
LEU A  59
 None
None
None
GOL  A2008 (-3.4A)
None
 1.34A 5eeiB-2exhA:
undetectable		 5eeiB-2exhA:
20.56
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.
5HNW_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT
(Corynebacterium
sp.
U-96) 		6 / 12 VAL A 907
GLU A 885
LEU A 875
PHE A 920
LEU A 954
ARG A 929
 None
None
None
None
None
SO4  A2008 (-3.1A)
 1.33A 5hnwB-1vrqA:
undetectable		 5hnwB-1vrqA:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		 1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT
(Corynebacterium
sp.
U-96) 		6 / 12 VAL A 907
GLU A 885
LEU A 875
PHE A 920
LEU A 954
ARG A 929
 None
None
None
None
None
SO4  A2008 (-3.1A)
 1.34A 5hnxB-1vrqA:
1.0		 5hnxB-1vrqA:
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.
5HNY_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		 1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT
(Corynebacterium
sp.
U-96) 		6 / 12 VAL A 907
GLU A 885
LEU A 875
PHE A 920
LEU A 954
ARG A 929
 None
None
None
None
None
SO4  A2008 (-3.1A)
 1.33A 5hnyB-1vrqA:
undetectable		 5hnyB-1vrqA:
18.94
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 2oo4 NEUROGENIC LOCUS
NOTCH HOMOLOG
PROTEIN 2
(Homo
sapiens) 		5 / 10 LEU A1558
ALA A1562
LEU A1566
LEU A1569
LEU A1587
 None
GOL  A7008 ( 3.8A)
GOL  A7007 (-4.7A)
None
GOL  A7001 (-4.9A)
 1.35A 5hyrA-2oo4A:
undetectable		 5hyrA-2oo4A:
23.13
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.
5I3A_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.63A 5i3aA-4bedB:
23.8		 5i3aA-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_B_HQEB304_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.65A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3A_B_HQEB304_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B3075
ASN B3076
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
 0.49A 5i3aB-4bedB:
23.7		 5i3aB-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3B_A_HQEA303_1
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2946
HIS B2965
HIS B3075
HIS B3079
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
 0.59A 5i3bA-4bedB:
23.8		 5i3bA-4bedB:
9.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEF_A_NBVA1005_1
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 TRP A 442
ASP A 441
TRP A 551
ASP A 553
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.83A 5iefA-5jouA:
35.2		 5iefA-5jouA:
25.97
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.
5IEF_A_NBVA1005_2
(NEUTRAL
ALPHA-GLUCOSIDASE AB)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		4 / 4 ARG A 613
TRP A 627
ASP A 659
ARG A 707
 EDO  A1008 (-4.6A)
None
None
None
 0.82A 5iefA-5jouA:
35.2		 5iefA-5jouA:
25.97
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.
5IY5_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.71A 5iy5A-4bedB:
undetectable		 5iy5A-4bedB:
14.43
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.
5IY5_N_CUN602_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 5iy5N-4bedB:
undetectable		 5iy5N-4bedB:
14.43
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.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		 6h7x -
(-) 		5 / 12 GLY A  89
VAL A 295
ILE A  75
ALA A  56
GLY A  57
 EDO  A1008 ( 4.2A)
None
None
None
None
 0.90A 5kb6A-6h7xA:
undetectable		 5kb6A-6h7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		 6h7x -
(-) 		5 / 12 GLY A  89
VAL A 295
ILE A  75
ALA A  56
GLY A  57
 EDO  A1008 ( 4.2A)
None
None
None
None
 0.90A 5kb6B-6h7xA:
undetectable		 5kb6B-6h7xA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		 5w21 KLOTHO
(Homo
sapiens) 		3 / 3 LYS A 424
ASP A 426
ILE A 472
 None
ZN  A1008 (-2.2A)
None
 0.83A 5kc4E-5w21A:
undetectable		 5kc4E-5w21A:
17.68
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.
5M8N_A_MMSA514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 10 HIS B2946
HIS B2965
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.57A 5m8nA-4bedB:
20.6		 5m8nA-4bedB:
13.21
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.
5M8N_B_MMSB515_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 10 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.59A 5m8nB-4bedB:
20.8		 5m8nB-4bedB:
13.21
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.
5M8N_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 9 HIS B2946
HIS B2965
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.65A 5m8nC-4bedB:
21.7		 5m8nC-4bedB:
13.21
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.
5M8N_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 9 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.29A 5m8nC-4bedB:
21.7		 5m8nC-4bedB:
13.21
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.
5M8N_D_MMSD515_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 9 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.28A 5m8nD-4bedB:
19.1		 5m8nD-4bedB:
13.21
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 7 HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.61A 5m8rA-4bedB:
19.5		 5m8rA-4bedB:
13.33
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.
5M8R_A_MMSA511_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 7 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.28A 5m8rA-4bedB:
19.5		 5m8rA-4bedB:
13.33
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.
5M8R_B_MMSB514_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 8 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.27A 5m8rB-4bedB:
20.8		 5m8rB-4bedB:
13.33
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.35A 5m8rC-4bedB:
19.5		 5m8rC-4bedB:
13.33
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.
5M8R_C_MMSC516_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 8 HIS B3106
HIS B2965
GLY B2947
SER B3096
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.2A)
None
CUO  B9008 ( 4.7A)
 0.87A 5m8rC-4bedB:
19.5		 5m8rC-4bedB:
13.33
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.
5M8R_D_MMSD509_1
(5,6-DIHYDROXYINDOLE-
2-CARBOXYLIC ACID
OXIDASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 8 HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.29A 5m8rD-4bedB:
19.5		 5m8rD-4bedB:
13.33
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.
5MEJ_A_CUA501_0
(LACCASE 2)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B3106
HIS B3075
HIS B2946
HIS B2974
HIS B2965
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.2A)
 1.30A 5mejA-4bedB:
3.7		 5mejA-4bedB:
14.78
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.
5MEW_A_CUA501_0
(LACCASE 2)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B3106
HIS B3075
HIS B2946
HIS B2974
HIS B2965
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.2A)
 1.31A 5mewA-4bedB:
undetectable		 5mewA-4bedB:
14.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MHU_A_CUA501_0
(LACCASE 2)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B3106
HIS B3075
HIS B2946
HIS B2974
HIS B2965
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.2A)
 1.31A 5mhuA-4bedB:
undetectable		 5mhuA-4bedB:
14.78
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.
5MHV_A_CUA501_0
(LACCASE 2)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B3106
HIS B3075
HIS B2946
HIS B2974
HIS B2965
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.2A)
 1.31A 5mhvA-4bedB:
3.6		 5mhvA-4bedB:
14.78
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.
5MUG_A_VIVA301_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 SER B 340
SER B 344
PHE B 385
 None
CLA  B1222 (-3.3A)
BCR  B4008 (-4.8A)
 0.93A 5mugA-6fosB:
undetectable		 5mugA-6fosB:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5N9X_A_THRA601_0
(ADENYLATION DOMAIN)		 5wmm NRPS
(Micromonospora
sp.
ML1) 		4 / 7 PHE A 212
ASP A 213
GLY A 282
GLY A 307
 CA  A1008 (-4.2A)
B6G  A1001 (-2.7A)
B6G  A1001 (-3.4A)
B6G  A1001 (-4.8A)
 0.56A 5n9xA-5wmmA:
47.8		 5n9xA-5wmmA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 TRP A 442
ASP A 441
TRP A 482
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.09A 5nn6A-5jouA:
36.7		 5nn6A-5jouA:
24.81
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.
5NN6_A_MIGA1013_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		8 / 12 TRP A 442
ASP A 441
TRP A 551
ASP A 553
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.79A 5nn6A-5jouA:
36.7		 5nn6A-5jouA:
24.81
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 482
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.88A 5nn8A-5jouA:
40.8		 5nn8A-5jouA:
24.81
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.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
TRP A 551
ASP A 553
ARG A 613
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.46A 5nn8A-5jouA:
40.8		 5nn8A-5jouA:
24.81
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.
5TZO_B_7V7B202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
(Enterovirus
C) 		4 / 8 THR 1 241
TYR 1 161
ARG 1 245
GLN 1 158
 None
None
CL  15008 (-3.6A)
None
 1.25A 5tzoB-4q4y1:
undetectable		 5tzoB-4q4y1:
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.
5TZO_C_7V7C202_1
(ENDO-1,4-BETA-XYLANA
SE A)		 4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
(Enterovirus
C) 		4 / 8 THR 1 241
TYR 1 161
ARG 1 245
GLN 1 158
 None
None
CL  15008 (-3.6A)
None
 1.28A 5tzoC-4q4y1:
undetectable		 5tzoC-4q4y1:
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.
5VLM_E_CVIE301_1
(REGULATORY PROTEIN
TETR)		 5kdx METALLOPEPTIDASE
(Pseudomonas
aeruginosa) 		4 / 7 GLN A 720
GLY A 699
GLN A 814
ASP A 621
 TNR  A1002 (-3.1A)
None
None
EDO  A1008 (-3.6A)
 1.09A 5vlmE-5kdxA:
1.8		 5vlmE-5kdxA:
12.85
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.
5VV9_A_H4BA502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 7 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.42A 5vv9A-4okdA:
undetectable
5vv9B-4okdA:
undetectable		 5vv9A-4okdA:
19.91
5vv9B-4okdA:
19.91
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.
5W97_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 5w97a-4bedB:
undetectable		 5w97a-4bedB:
14.43
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.
5WAU_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 5waua-4bedB:
undetectable		 5waua-4bedB:
14.43
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.
5X19_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 5x19A-4bedB:
undetectable		 5x19A-4bedB:
14.43
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.
5X19_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 5x19N-4bedB:
1.0		 5x19N-4bedB:
14.43
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.
5X1F_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.67A 5x1fA-4bedB:
undetectable		 5x1fA-4bedB:
14.43
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.
5X1F_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.68A 5x1fN-4bedB:
0.3		 5x1fN-4bedB:
14.43
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.
5X6Y_C_SAMC901_0
(MRNA CAPPING ENZYME
P5)		 5ihr PROBABLE
BETA-GALACTOSIDASE A
(Aspergillus
niger) 		5 / 11 VAL A 155
GLY A 157
SER A 162
ALA A 169
LEU A 152
 DMS  A3008 (-4.1A)
None
None
DMS  A3008 ( 4.1A)
None
 1.19A 5x6yC-5ihrA:
undetectable		 5x6yC-5ihrA:
23.23
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 10 TRP A 551
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.46A 5x7pA-5jouA:
22.1		 5x7pA-5jouA:
22.51
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.
5X7P_A_ACRA1401_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 10 TRP A 551
TRP A 627
TRP A 312
PHE A 663
HIS A 709
 None
None
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.90A 5x7pA-5jouA:
22.1		 5x7pA-5jouA:
22.51
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.
5XDQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.76A 5xdqA-4bedB:
undetectable		 5xdqA-4bedB:
14.43
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.
5XDX_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 5xdxA-4bedB:
undetectable		 5xdxA-4bedB:
14.43
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.
5XDX_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.71A 5xdxN-4bedB:
undetectable		 5xdxN-4bedB:
14.43
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.49A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
5Z0F_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.49A 5z0fA-4bedB:
21.5
5z0fB-4bedB:
undetectable		 5z0fA-4bedB:
4.44
5z0fB-4bedB:
4.18
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.80A 5z0gA-4bedB:
21.2
5z0gB-4bedB:
undetectable		 5z0gA-4bedB:
4.44
5z0gB-4bedB:
4.18
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.
5Z0G_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.48A 5z0gA-4bedB:
21.2
5z0gB-4bedB:
undetectable		 5z0gA-4bedB:
4.44
5z0gB-4bedB:
4.18
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.75A 5z0hA-4bedB:
23.0
5z0hB-4bedB:
undetectable		 5z0hA-4bedB:
4.44
5z0hB-4bedB:
4.18
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.41A 5z0hA-4bedB:
23.0
5z0hB-4bedB:
undetectable		 5z0hA-4bedB:
4.44
5z0hB-4bedB:
4.18
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.45A 5z0hA-4bedB:
23.0
5z0hB-4bedB:
undetectable		 5z0hA-4bedB:
4.44
5z0hB-4bedB:
4.18
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.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.78A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-4bedB:
4.18
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.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.46A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-4bedB:
4.18
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.
5Z0I_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.47A 5z0iA-4bedB:
23.0
5z0iB-4bedB:
undetectable		 5z0iA-4bedB:
4.44
5z0iB-4bedB:
4.18
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.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.76A 5z0jA-4bedB:
23.1
5z0jB-4bedB:
undetectable		 5z0jA-4bedB:
4.44
5z0jB-4bedB:
4.18
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.
5Z0J_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.48A 5z0jA-4bedB:
23.1
5z0jB-4bedB:
undetectable		 5z0jA-4bedB:
4.44
5z0jB-4bedB:
4.18
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.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.73A 5z0kA-4bedB:
23.0
5z0kB-4bedB:
undetectable		 5z0kA-4bedB:
4.44
5z0kB-4bedB:
4.18
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.
5Z0K_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.47A 5z0kA-4bedB:
23.0
5z0kB-4bedB:
undetectable		 5z0kA-4bedB:
4.44
5z0kB-4bedB:
4.18
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.76A 5z0lA-4bedB:
23.1
5z0lB-4bedB:
undetectable		 5z0lA-4bedB:
4.44
5z0lB-4bedB:
4.18
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2974
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.43A 5z0lA-4bedB:
23.1
5z0lB-4bedB:
undetectable		 5z0lA-4bedB:
4.44
5z0lB-4bedB:
4.18
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.44A 5z0lA-4bedB:
23.1
5z0lB-4bedB:
undetectable		 5z0lA-4bedB:
4.44
5z0lB-4bedB:
4.18
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B2946
HIS B2965
HIS B3075
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 0.75A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-4bedB:
4.18
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		6 / 11 HIS B2946
HIS B2974
HIS B3075
ASN B3076
HIS B3079
SER B3096
 CUO  B9008 (-3.1A)
CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
None
CUO  B9008 (-3.5A)
CUO  B9008 ( 4.7A)
 1.28A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-4bedB:
4.18
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 11 HIS B3079
HIS B3075
HIS B2974
HIS B2946
SER B3096
 CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
CUO  B9008 (-2.9A)
CUO  B9008 (-3.1A)
CUO  B9008 ( 4.7A)
 1.39A 5z0mA-4bedB:
23.0
5z0mB-4bedB:
undetectable		 5z0mA-4bedB:
4.32
5z0mB-4bedB:
4.18
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.
5Z84_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.75A 5z84A-4bedB:
undetectable		 5z84A-4bedB:
14.43
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.
5Z84_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.76A 5z84N-4bedB:
0.4		 5z84N-4bedB:
14.43
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.
5Z85_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.76A 5z85A-4bedB:
undetectable		 5z85A-4bedB:
14.43
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.
5Z86_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.75A 5z86A-4bedB:
undetectable		 5z86A-4bedB:
14.43
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.
5Z86_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.78A 5z86N-4bedB:
undetectable		 5z86N-4bedB:
14.43
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.
5ZCO_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 5zcoA-4bedB:
undetectable		 5zcoA-4bedB:
14.43
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.
5ZCO_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 5zcoN-4bedB:
undetectable		 5zcoN-4bedB:
14.43
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.
5ZCP_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 5zcpA-4bedB:
undetectable		 5zcpA-4bedB:
14.43
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.
5ZCP_N_CUN604_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.76A 5zcpN-4bedB:
0.3		 5zcpN-4bedB:
14.43
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.
5ZCQ_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.73A 5zcqA-4bedB:
undetectable		 5zcqA-4bedB:
14.43
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.
5ZCQ_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.74A 5zcqN-4bedB:
0.4		 5zcqN-4bedB:
14.43
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.
5ZRD_A_CUA606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 4 HIS B2946
CYH B2963
HIS B2965
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.0A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.9A)
 0.74A 5zrdA-4bedB:
30.3		 5zrdA-4bedB:
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.
5ZRD_A_CUA607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B2974
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
CUO  B9008 (-2.8A)
 0.55A 5zrdA-4bedB:
30.3		 5zrdA-4bedB:
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.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B3075
HIS B3079
PHE B3102
HIS B3105
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-4.7A)
None
 0.60A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
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.
5ZRD_B_CUB606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B3075
HIS B3079
PHE B3102
HIS B3106
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-4.7A)
CUO  B9008 (-3.3A)
 0.54A 5zrdB-4bedB:
28.1		 5zrdB-4bedB:
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.
5ZRD_B_CUB607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2946
CYH B2963
HIS B2965
HIS B2974
PHE B3102
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.0A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.9A)
CUO  B9008 (-4.7A)
 0.73A 5zrdB-4bedB:
27.9		 5zrdB-4bedB:
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.
5ZRD_B_CUB607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B2965
HIS B2946
HIS B3106
PHE B2970
 CUO  B9008 (-3.2A)
CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
None
 1.11A 5zrdB-4bedB:
27.9		 5zrdB-4bedB:
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.
5ZRD_B_CUB607_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B3075
HIS B3079
HIS B3106
PHE B2970
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-3.3A)
None
 1.14A 5zrdB-4bedB:
27.9		 5zrdB-4bedB:
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.
5ZRD_C_CUC605_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2946
CYH B2963
HIS B2965
HIS B2974
PHE B3102
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.0A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.9A)
CUO  B9008 (-4.7A)
 0.78A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
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.
5ZRD_C_CUC605_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B3075
HIS B3079
HIS B3106
PHE B2970
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-3.3A)
None
 1.15A 5zrdC-4bedB:
27.6		 5zrdC-4bedB:
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.
5ZRD_D_CUD606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		5 / 5 HIS B2946
CYH B2963
HIS B2965
HIS B2974
PHE B3102
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.0A)
CUO  B9008 (-3.2A)
CUO  B9008 (-2.9A)
CUO  B9008 (-4.7A)
 0.66A 5zrdD-4bedB:
27.7		 5zrdD-4bedB:
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.
5ZRD_D_CUD606_0
(TYROSINASE)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		4 / 5 HIS B3075
HIS B3079
HIS B3106
PHE B2970
 CUO  B9008 (-2.8A)
CUO  B9008 (-3.5A)
CUO  B9008 (-3.3A)
None
 1.12A 5zrdD-4bedB:
27.7		 5zrdD-4bedB:
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.
6AG0_A_ACRA610_0
(ALPHA-AMYLASE)		 4tvc DEXTRANSUCRASE
(Leuconostoc
mesenteroides) 		5 / 12 TYR A2650
LEU A2166
ASP A2210
HIS A2321
ASP A2322
 GOL  A3008 (-3.3A)
None
GOL  A3008 (-2.7A)
None
None
 0.71A 6ag0A-4tvcA:
11.2		 6ag0A-4tvcA:
5.93
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		 5j78 ACETALDEHYDE
DEHYDROGENASE
(ACETYLATING)
(Parageobacillus
thermoglucosidas
ius) 		5 / 12 ALA A 229
PHE A 149
PHE A  98
ALA A 431
THR A 395
 None
None
GOL  A1008 (-4.4A)
GOL  A1007 (-2.9A)
None
 1.37A 6aycA-5j78A:
undetectable		 6aycA-5j78A:
10.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
SER A 630
TYR A 631
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.56A 6b1eB-2bucA:
56.1		 6b1eB-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		11 / 12 ARG A 125
GLU A 205
GLU A 206
TYR A 547
TYR A 631
VAL A 656
TYR A 662
TYR A 666
ASN A 710
VAL A 711
HIS A 740
 SO4  A1769 ( 3.1A)
008  A1767 (-3.9A)
008  A1767 (-2.5A)
SO4  A1769 ( 4.5A)
None
None
008  A1767 (-4.4A)
008  A1767 (-3.8A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 0.22A 6b1eB-2bucA:
56.1		 6b1eB-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 GLU A 205
TYR A 547
SER A 630
TYR A 662
VAL A 711
 008  A1767 (-3.9A)
SO4  A1769 ( 4.5A)
SO4  A1769 ( 3.0A)
008  A1767 (-4.4A)
None
 1.30A 6b1eB-2bucA:
56.1		 6b1eB-2bucA:
88.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6B1E_B_LF7B801_1
(DIPEPTIDYL PEPTIDASE
4)		 2buc DIPEPTIDYL PEPTIDASE
IV
(Sus
scrofa) 		5 / 12 TYR A 634
TYR A 662
ASN A 710
VAL A 711
HIS A 740
 None
008  A1767 (-4.4A)
008  A1767 (-3.0A)
None
SO4  A1769 ( 4.1A)
 1.02A 6b1eB-2bucA:
56.1		 6b1eB-2bucA:
88.05
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.
6C9X_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 553
ARG A 613
TRP A 627
PHE A 663
HIS A 709
 EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.31A 6c9xA-5jouA:
11.2		 6c9xA-5jouA:
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.
6C9X_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 553
ARG A 613
TRP A 627
PHE A 663
HIS A 709
 EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.33A 6c9xB-5jouA:
33.6		 6c9xB-5jouA:
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.38A 6c9zA-5jouA:
32.1		 6c9zA-5jouA:
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.
6C9Z_A_VOGA701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 TRP A 442
ASP A 553
ARG A 613
TRP A 627
ASP A 630
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
 1.39A 6c9zA-5jouA:
32.1		 6c9zA-5jouA:
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.
6C9Z_B_VOGB701_0
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 553
ARG A 613
TRP A 627
PHE A 663
HIS A 709
 EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.38A 6c9zB-5jouA:
33.3		 6c9zB-5jouA:
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		8 / 12 TRP A 442
ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.75A 6ca1A-5jouA:
37.0		 6ca1A-5jouA:
7.16
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.
6CA1_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 TRP A 442
ASP A 441
TRP A 551
ASP A 553
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.14A 6ca1A-5jouA:
37.0		 6ca1A-5jouA:
7.16
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		8 / 12 TRP A 442
ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.74A 6ca1B-5jouA:
10.2		 6ca1B-5jouA:
7.16
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.
6CA1_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		6 / 12 TRP A 442
ASP A 441
TRP A 551
ASP A 553
PHE A 663
HIS A 709
 EDO  A1008 (-3.7A)
EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 1.13A 6ca1B-5jouA:
10.2		 6ca1B-5jouA:
7.16
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.36A 6ca3A-5jouA:
33.4		 6ca3A-5jouA:
7.16
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.
6CA3_A_MIGA701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 551
ASP A 553
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.94A 6ca3A-5jouA:
33.4		 6ca3A-5jouA:
7.16
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		7 / 12 ASP A 441
ASP A 553
ARG A 613
TRP A 627
ASP A 630
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
EDO  A1008 (-2.7A)
EDO  A1008 (-4.6A)
None
EDO  A1008 (-3.0A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.36A 6ca3B-5jouA:
32.2		 6ca3B-5jouA:
7.16
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.
6CA3_B_MIGB701_1
(GLYCOSYL HYDROLASE,
FAMILY 31)		 5jou ALPHA-XYLOSIDASE
BOGH31A
(Bacteroides
ovatus) 		5 / 12 ASP A 441
TRP A 551
ASP A 553
PHE A 663
HIS A 709
 EDO  A1008 (-2.8A)
None
EDO  A1008 (-2.7A)
EDO  A1008 (-4.3A)
EDO  A1008 (-4.0A)
 0.94A 6ca3B-5jouA:
32.2		 6ca3B-5jouA:
7.16
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.
6GBF_A_ACTA507_0
(MOLYBDOPTERIN
BIOSYNTHESIS PROTEIN
CNX1)		 4k6m POLYPROTEIN
(Japanese
encephalitis
virus) 		3 / 3 LYS A 805
SER A 799
SER A 801
 None
SO4  A1008 (-2.7A)
SO4  A1008 (-4.4A)
 0.85A 6gbfA-4k6mA:
undetectable		 6gbfA-4k6mA:
19.22
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.
6GIQ_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B3106
HIS B3079
HIS B3075
 CUO  B9008 (-3.3A)
CUO  B9008 (-3.5A)
CUO  B9008 (-2.8A)
 0.70A 6giqa-4bedB:
undetectable		 6giqa-4bedB:
14.92
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.
6GNG_B_QPSB601_3
(-)		 1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3
(Saccharomyces
cerevisiae) 		3 / 3 ASP A 378
ASP A 501
ASN A  88
 None
None
NAG  A2008 (-1.7A)
 0.83A 6gngB-1zpuA:
undetectable		 6gngB-1zpuA:
22.63
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.
6NMF_A_CUA603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.72A 6nmfA-4bedB:
0.7		 6nmfA-4bedB:
14.43
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.
6NMF_N_CUN603_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.69A 6nmfN-4bedB:
undetectable		 6nmfN-4bedB:
14.43
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.
6NMP_A_CUA601_0
(CYTOCHROME C OXIDASE
SUBUNIT 1)		 4bed HEMOCYANIN KLH1
(Megathura
crenulata) 		3 / 3 HIS B2946
HIS B3106
HIS B2974
 CUO  B9008 (-3.1A)
CUO  B9008 (-3.3A)
CUO  B9008 (-2.9A)
 0.76A 6nmpA-4bedB:
undetectable		 6nmpA-4bedB:
14.43
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.
9NSE_A_H4BA600_1
(PROTEIN (NITRIC
OXIDE SYNTHASE))		 4okd ISOAMYLASE
(Chlamydomonas
reinhardtii) 		4 / 6 VAL A 537
ARG A 555
PHE A 615
GLU A 549
 None
GLC  A1008 (-3.1A)
None
None
 1.40A 9nseA-4okdA:
undetectable
9nseB-4okdA:
0.0		 9nseA-4okdA:
20.26
9nseB-4okdA:
20.26