SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'B12'


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.
1CD2_A_FOLA307_1
(DIHYDROFOLATE
REDUCTASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		3 / 3 GLU A1123
ILE A1126
ARG A1094
 None
None
B12  A1248 ( 4.9A)
 0.82A 1cd2A-1k7yA:
0.0		 1cd2A-1k7yA:
15.91
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		4 / 8 ARG A 876
GLY A 802
ILE A 801
VAL A 867
 None
B12  A1248 (-3.5A)
None
None
 0.80A 1d4sB-1k7yA:
undetectable		 1d4sB-1k7yA:
11.13
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.
1E71_M_ASCM995_0
(MYROSINASE MA1)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ILE A 739
PHE A 643
PHE A 638
PHE A 722
 None
None
B12  A 800 ( 4.9A)
B12  A 800 (-4.0A)
 1.21A 1e71M-2xijA:
3.8		 1e71M-2xijA:
22.04
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.
1E72_M_ASCM995_0
(MYROSINASE MA1)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 ILE A 739
PHE A 643
PHE A 638
PHE A 722
 None
None
B12  A 800 ( 4.9A)
B12  A 800 (-4.0A)
 1.21A 1e72M-2xijA:
3.6		 1e72M-2xijA:
22.04
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		 3cpj GTP-BINDING PROTEIN
YPT31/YPT8
(Saccharomyces
cerevisiae) 		3 / 3 PHE B  38
LEU B  29
SER B 156
 GDP  B1207 (-4.5A)
None
GDP  B1207 (-3.6A)
 0.83A 1e7aA-3cpjB:
undetectable		 1e7aA-3cpjB:
17.29
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.
1EII_A_RTLA135_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 7 TYR A  89
GLN A 197
SER A 239
TYR A 243
 DCA  A 801 (-4.0A)
None
DCA  A 801 ( 4.1A)
B12  A 800 ( 4.6A)
 1.32A 1eiiA-1e1cA:
0.0		 1eiiA-1e1cA:
11.11
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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 GLY A 702
LEU A 713
VAL A 718
ASP A 709
ALA A 620
 B12  A 800 (-3.5A)
None
None
None
None
 1.49A 1fpqA-2xijA:
4.4		 1fpqA-2xijA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 7 VAL A 684
GLY A 653
THR A 640
ILE A 682
 None
B12  A 800 ( 3.9A)
None
None
 0.82A 1gtnC-1e1cA:
undetectable
1gtnD-1e1cA:
undetectable		 1gtnC-1e1cA:
8.54
1gtnD-1e1cA:
8.54
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.
1HK2_A_T44A3002_1
(SERUM ALBUMIN)		 2bb6 TRANSCOBALAMIN II
(Bos
taurus) 		4 / 8 LEU A  27
LEU A  58
TYR A  62
LEU A 363
 None
None
None
B12  A   0 (-3.7A)
 1.22A 1hk2A-2bb6A:
undetectable		 1hk2A-2bb6A:
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.
1ICT_D_T44D129_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 6 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.96A 1ictB-3f8uB:
2.1		 1ictB-3f8uB:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKV_A_EFZA2000_1
(POL POLYPROTEIN)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 9 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.32A 1ikvA-1k7yA:
1.1		 1ikvA-1k7yA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IKW_A_EFZA2000_1
(POL POLYPROTEIN)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.38A 1ikwA-1k7yA:
1.0		 1ikwA-1k7yA:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1JB0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		11 / 11 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.26A 1jb0B-4rkuB:
43.5		 1jb0B-4rkuB:
78.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 9 THR A1161
GLY A 997
LEU A1067
SER A1176
GLY A1066
 None
None
None
B12  A1248 (-4.9A)
None
 1.33A 1jhoA-1k7yA:
4.8		 1jhoA-1k7yA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 8 THR A1161
GLY A 997
LEU A1067
SER A1176
GLY A1066
 None
None
None
B12  A1248 (-4.9A)
None
 1.33A 1jhqA-1k7yA:
4.6		 1jhqA-1k7yA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JNO_A_DVAA6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.86A 1jnoA-5jcpB:
undetectable		 1jnoA-5jcpB:
3.05
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.
1JNO_B_DVAB6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.86A 1jnoB-5jcpB:
undetectable		 1jnoB-5jcpB:
3.05
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.
1LW0_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.35A 1lw0A-1k7yA:
1.2		 1lw0A-1k7yA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LWF_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 9 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.23A 1lwfA-1k7yA:
0.3		 1lwfA-1k7yA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 8 GLY A 720
SER A 667
ASP A 616
THR A 612
 None
B12  A1801 (-2.5A)
None
None
 0.72A 1m4iA-3koyA:
undetectable		 1m4iA-3koyA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MAG_A_DVAA6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.91A 1magA-5jcpB:
undetectable		 1magA-5jcpB:
3.05
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.
1MAG_B_DVAB6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.91A 1magB-5jcpB:
undetectable		 1magB-5jcpB:
3.05
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.
1MJ2_A_SAMA2201_1
(PROTEIN (METHIONINE
REPRESSOR))		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.11A 1mj2B-4rkuB:
undetectable		 1mj2B-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.06A 1mj2D-4rkuB:
undetectable		 1mj2D-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoB-4rkuB:
undetectable		 1mjoB-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoA-4rkuB:
undetectable		 1mjoA-4rkuB:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 4 HIS B 389
ALA B 388
PHE B 387
GLY B 335
 CLA  B1226 (-4.0A)
CLA  B1226 ( 4.2A)
BCR  B6010 ( 3.2A)
BCR  B6010 ( 4.3A)
 1.09A 1mjoD-4rkuB:
undetectable		 1mjoD-4rkuB:
9.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1MSK_A_SAMA1301_0
(COBALAMIN-DEPENDENT
METHIONINE SYNTHASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		10 / 10 ASP A 946
ARG A1094
GLU A1097
ARG A1134
PRO A1135
ALA A1136
TYR A1139
PRO A1140
ALA A1141
TYR A1189
 None
B12  A1248 ( 4.9A)
B12  A1248 ( 4.8A)
None
None
B12  A1248 (-3.6A)
B12  A1248 ( 3.8A)
B12  A1248 ( 4.6A)
None
None
 0.85A 1mskA-1k7yA:
49.2		 1mskA-1k7yA:
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.
1MT1_G_AG2G7003_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 6 ASP A  40
GLY A 741
ILE A 981
ARG A 978
 B12  A1101 (-3.5A)
None
None
None
 0.89A 1mt1G-5cjuA:
undetectable
1mt1J-5cjuA:
0.0		 1mt1G-5cjuA:
4.03
1mt1J-5cjuA:
6.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4F_A_ASRA141_0
(LYSOZYME C)		 1xrs D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii) 		4 / 6 ASP B 138
GLY B 136
THR B 134
SER B 127
 None
B12  B 800 (-3.5A)
B12  B 800 (-4.2A)
None
 0.89A 1n4fA-1xrsB:
undetectable		 1n4fA-1xrsB:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NG8_A_DVAA6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.88A 1ng8A-5jcpB:
undetectable		 1ng8A-5jcpB:
3.05
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.
1NG8_B_DVAB6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.88A 1ng8B-5jcpB:
undetectable		 1ng8B-5jcpB:
3.05
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.
1NH8_A_HISA289_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 1xrs D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii) 		4 / 5 ASP B 182
LEU B 185
ALA B 252
LEU B 256
 None
B12  B 800 (-3.6A)
None
None
 1.05A 1nh8A-1xrsB:
undetectable		 1nh8A-1xrsB:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NRU_A_DVAA6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.91A 1nruA-5jcpB:
undetectable		 1nruA-5jcpB:
3.05
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.
1NRU_B_DVAB6_0
(GRAMICIDIN A)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		3 / 3 ALA B  61
VAL B  11
TRP B  99
 ALF  B1203 ( 4.7A)
None
None
 0.91A 1nruB-5jcpB:
undetectable		 1nruB-5jcpB:
3.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1NT2_A_SAMA301_0
(FIBRILLARIN-LIKE
PRE-RRNA PROCESSING
PROTEIN)		 3som METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN
(Homo
sapiens) 		5 / 12 GLY A 162
ALA A 103
ALA A 120
ILE A 160
GLN A 118
 None
None
None
B12  A 301 (-4.2A)
B12  A 301 (-3.2A)
 1.08A 1nt2A-3somA:
undetectable		 1nt2A-3somA:
19.87
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.
1ODI_A_ADNA1237_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 11 THR A 251
GLY A 249
GLU A 247
GLU A 255
GLU A 297
 None
None
B12  A 800 (-4.6A)
None
None
 1.40A 1odiA-1e1cA:
0.8		 1odiA-1e1cA:
16.51
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.
1Q23_H_FUAH709_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 3whp PROBABLE
TRANSCRIPTIONAL
REGULATOR
(Thermus
thermophilus) 		5 / 12 PHE A 245
LEU A 188
VAL A 193
VAL A 220
ALA A 271
 None
None
None
B12  A 800 (-4.8A)
None
 1.09A 1q23H-3whpA:
undetectable
1q23I-3whpA:
undetectable		 1q23H-3whpA:
20.27
1q23I-3whpA:
20.27
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.
1Q23_I_FUAI707_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 VAL B 280
ALA B 277
HIS B 274
 None
CLA  B1214 (-3.4A)
CLA  B1215 (-3.4A)
 0.74A 1q23G-6fosB:
undetectable		 1q23G-6fosB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_K_FUAK712_2
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 VAL B 280
ALA B 277
HIS B 274
 None
CLA  B1214 (-3.4A)
CLA  B1215 (-3.4A)
 0.77A 1q23L-6fosB:
undetectable		 1q23L-6fosB:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 LEU B 180
HIS B 275
ILE B 278
 CLA  B1210 (-3.6A)
CLA  B1215 (-4.0A)
CLA  B1215 ( 4.9A)
 0.69A 1s9pB-6fosB:
undetectable		 1s9pB-6fosB:
18.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		3 / 3 LEU B 115
LEU B 142
SER B 161
 None
None
NAG  B1233 ( 4.6A)
 0.44A 1tlmA-3f8uB:
undetectable		 1tlmA-3f8uB:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		5 / 11 ALA B  57
ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
None
NAG  B1233 ( 4.6A)
None
 1.02A 1tz8A-3f8uB:
4.3
1tz8B-3f8uB:
3.8		 1tz8A-3f8uB:
15.36
1tz8B-3f8uB:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.18A 1v55C-4rkuB:
2.9
1v55N-4rkuB:
undetectable
1v55P-4rkuB:
2.9		 1v55C-4rkuB:
16.14
1v55N-4rkuB:
22.74
1v55P-4rkuB:
16.14
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		 2wy3 UNCHARACTERIZED
PROTEIN UL16
(Human
betaherpesvirus
5) 		4 / 8 SER B  33
SER B  34
SER B  31
GLN B  94
 None
NAG  B1202 (-2.8A)
None
None
 1.01A 2cmlB-2wy3B:
undetectable		 2cmlB-2wy3B:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		 5ung CHIMERA PROTEIN OF
TYPE-2 ANGIOTENSIN
II RECEPTOR AND
SOLUBLE CYTOCHROME
B562
(Escherichia
coli;
Homo
sapiens) 		4 / 6 ALA B 194
TYR B 103
TRP B 110
ILE B 196
 None
8ES  B1201 (-4.8A)
None
None
 1.21A 2dcfA-5ungB:
undetectable		 2dcfA-5ungB:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJ3_A_GBNA2414_1
(BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE)		 5uos METHYLMALONIC
ACIDURIA AND
HOMOCYSTINURIA TYPE
C PROTEIN
(Homo
sapiens) 		4 / 8 TYR A  31
THR A 119
ALA A 120
ALA A 121
 None
B12  A 301 ( 2.7A)
None
None
 0.56A 2ej3A-5uosA:
undetectable		 2ej3A-5uosA:
22.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJT_A_SAMA501_0
(N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 LEU I 510
ILE I 468
ASN I 509
ALA I 402
PHE I 403
 None
None
B12  I1631 (-4.2A)
None
None
 1.21A 2ejtA-4c1nI:
undetectable		 2ejtA-4c1nI:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G70_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii;
Acetoanaerobium
sticklandii) 		4 / 7 TYR B 146
GLY A 204
THR A 185
TYR A 207
 B12  B 800 (-4.2A)
None
None
None
 0.97A 2g70A-1xrsB:
2.2		 2g70A-1xrsB:
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.
2G70_B_SAMB2002_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		 1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii;
Acetoanaerobium
sticklandii) 		4 / 7 TYR B 146
GLY A 204
THR A 185
TYR A 207
 B12  B 800 (-4.2A)
None
None
None
 0.96A 2g70B-1xrsB:
undetectable		 2g70B-1xrsB:
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 ALA B 173
SER B 170
SER B 237
ASN A 403
 None
None
None
B12  B 601 ( 4.2A)
 0.87A 2i91A-3anyB:
3.5		 2i91A-3anyB:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I91_B_ACTB602_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli;
Escherichia
coli) 		4 / 7 ALA B 173
SER B 170
SER B 237
ASN A 403
 None
None
None
B12  B 601 ( 4.2A)
 0.87A 2i91B-3anyB:
3.2		 2i91B-3anyB:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IYF_B_ERYB1399_0
(OLEANDOMYCIN
GLYCOSYLTRANSFERASE)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 ASN I 381
ILE I 213
ASN I 238
ALA I 296
ASP I 245
 B12  I1631 (-3.9A)
None
None
None
None
 1.39A 2iyfB-4c1nI:
undetectable		 2iyfB-4c1nI:
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.
2J9C_C_ACTC1120_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		 3v0a NTNH
(Clostridium
botulinum) 		3 / 3 LYS B 663
TYR B 281
PRO B 280
 None
MES  B1202 ( 4.0A)
None
 1.28A 2j9cC-3v0aB:
undetectable		 2j9cC-3v0aB:
7.14
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.
2O01_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 5ung CHIMERA PROTEIN OF
TYPE-2 ANGIOTENSIN
II RECEPTOR AND
SOLUBLE CYTOCHROME
B562
(Escherichia
coli;
Homo
sapiens) 		4 / 8 PHE B 308
SER B 311
ALA B  95
LEU B  97
 8ES  B1201 (-3.7A)
None
None
None
 0.87A 2o01A-5ungB:
undetectable		 2o01A-5ungB:
19.76
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.
2Q63_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		 3v0a NTNH
(Clostridium
botulinum) 		3 / 3 ARG B 249
ASN B 397
THR B 488
 SO4  B1201 (-3.3A)
None
SO4  B1195 ( 4.0A)
 0.80A 2q63A-3v0aB:
undetectable		 2q63A-3v0aB:
7.41
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.
2Q6U_A_BEZA501_0
(NIKD PROTEIN)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 7 HIS A 450
ARG A 448
GLU A 456
TYR A 379
 None
None
None
B12  A 803 (-4.3A)
 1.34A 2q6uA-4rasA:
undetectable		 2q6uA-4rasA:
22.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD4_B_CHDB927_0
(FERROCHELATASE)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		3 / 3 LEU B 222
PRO B 223
ARG B 181
 SF4  B1242 ( 4.5A)
None
None
 0.57A 2qd4B-1qlbB:
undetectable		 2qd4B-1qlbB:
20.86
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.
2QEU_B_ACTB141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		3 / 3 PRO A 194
ASN A 201
ARG A 204
 B12  B 601 (-4.9A)
None
None
 0.98A 2qeuB-3anyA:
undetectable		 2qeuB-3anyA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		3 / 3 GLY B  59
ASP B  60
SER B  63
 SF4  B1274 (-3.5A)
SF4  B1274 (-1.7A)
None
 0.74A 2qhfA-4ci0B:
undetectable		 2qhfA-4ci0B:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0Z_O_C41O1327_2
(RENIN)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		4 / 8 THR A 142
PRO A 290
LEU A 136
THR A 280
 B12  A 802 ( 4.2A)
None
None
EDO  A 807 (-3.0A)
 1.20A 2v0zO-5ul4A:
undetectable		 2v0zO-5ul4A:
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.
2V3K_A_SAMA1254_0
(ESSENTIAL FOR
MITOTIC GROWTH 1)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 10 LEU A 188
VAL A 193
GLY A 192
LEU A 270
ALA A 271
 None
None
None
B12  A 300 ( 4.4A)
None
 0.81A 2v3kA-5c8aA:
undetectable		 2v3kA-5c8aA:
21.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WSC_B_PQNB1773_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 10 TRP B  22
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.62A 2wscB-4rkuB:
36.7		 2wscB-4rkuB:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2WSE_B_PQNB1774_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 10 TRP B  22
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.62A 2wseB-4rkuB:
36.3		 2wseB-4rkuB:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 8 GLY A 741
HIS A 780
ASN A 798
ALA A 784
 None
BCO  A1103 ( 3.8A)
None
B12  A1101 (-3.7A)
 0.83A 2x0pA-5cjuA:
undetectable		 2x0pA-5cjuA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		5 / 12 PHE A 611
TYR A 664
ALA A 599
ALA A 626
MET A 690
 None
None
None
B12  A1101 (-3.6A)
None
 1.30A 2x2nB-5cjuA:
undetectable		 2x2nB-5cjuA:
16.80
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.
2X2N_C_X2NC1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		5 / 12 PHE A 611
TYR A 664
ALA A 599
ALA A 626
MET A 690
 None
None
None
B12  A1101 (-3.6A)
None
 1.32A 2x2nC-5cjuA:
undetectable		 2x2nC-5cjuA:
16.80
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.
2XYT_D_TC9D1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 8 THR B  27
GLN B 702
ASP B  30
SER B  33
 None
None
CLA  B1226 (-3.4A)
None
 1.13A 2xytE-6fosB:
undetectable		 2xytE-6fosB:
14.42
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 7 THR B  27
GLN B 702
ASP B  30
SER B  33
 None
None
CLA  B1226 (-3.4A)
None
 1.11A 2xytI-6fosB:
undetectable		 2xytI-6fosB:
14.42
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.
2XZ5_B_ACHB1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 8 TYR A 243
SER A 362
GLN A 197
SER A 239
 B12  A 800 ( 4.6A)
DCA  A 801 (-3.4A)
None
DCA  A 801 ( 4.1A)
 1.00A 2xz5B-1e1cA:
0.0
2xz5E-1e1cA:
0.0		 2xz5B-1e1cA:
15.66
2xz5E-1e1cA:
15.66
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.
2XZ5_D_ACHD1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 8 THR B  27
GLN B 702
ASP B  30
SER B  33
 None
None
CLA  B1226 (-3.4A)
None
 1.09A 2xz5C-6fosB:
undetectable
2xz5D-6fosB:
undetectable		 2xz5C-6fosB:
undetectable
2xz5D-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.
2Y05_A_RALA801_1
(PROSTAGLANDIN
REDUCTASE 1)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 8 VAL A 649
ARG A 596
SER A 717
TYR A 621
 None
None
None
B12  A 800 (-4.7A)
 1.32A 2y05A-1e1cA:
2.2
2y05B-1e1cA:
3.4		 2y05A-1e1cA:
18.36
2y05B-1e1cA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.17A 2y69C-4rkuB:
2.9
2y69N-4rkuB:
undetectable
2y69P-4rkuB:
2.9		 2y69C-4rkuB:
16.14
2y69N-4rkuB:
22.74
2y69P-4rkuB:
16.14
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.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 SER B 666
GLY B 660
THR B 659
LEU B 710
VAL B 711
 PQN  B5002 (-3.2A)
None
CLA  B9023 ( 3.7A)
None
CLA  B1239 ( 4.0A)
 1.13A 2zifA-4rkuB:
undetectable		 2zifA-4rkuB:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_A_SAMA298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 SER B 664
GLY B 658
THR B 657
LEU B 708
VAL B 709
 CLA  B1023 (-4.5A)
None
CLA  B1239 ( 4.4A)
None
CLA  B1226 (-4.4A)
 1.13A 2zifA-6fosB:
undetectable		 2zifA-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.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 SER B 666
GLY B 660
THR B 659
LEU B 710
VAL B 711
 PQN  B5002 (-3.2A)
None
CLA  B9023 ( 3.7A)
None
CLA  B1239 ( 4.0A)
 1.09A 2zifB-4rkuB:
undetectable		 2zifB-4rkuB:
16.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZIF_B_SAMB298_0
(PUTATIVE
MODIFICATION
METHYLASE)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 SER B 664
GLY B 658
THR B 657
LEU B 708
VAL B 709
 CLA  B1023 (-4.5A)
None
CLA  B1239 ( 4.4A)
None
CLA  B1226 (-4.4A)
 1.12A 2zifB-6fosB:
undetectable		 2zifB-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.
2ZJ0_B_2FAB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 5 LEU A 668
GLN A 643
THR A 640
THR A 683
 None
None
None
B12  A 800 ( 4.9A)
 1.30A 2zj0B-1e1cA:
4.3		 2zj0B-1e1cA:
22.43
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.
2ZJ0_C_2FAC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 5 LEU A 668
GLN A 643
THR A 640
THR A 683
 None
None
None
B12  A 800 ( 4.9A)
 1.32A 2zj0C-1e1cA:
2.1		 2zj0C-1e1cA:
22.43
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.
2ZJ0_D_2FAD500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 4 LEU A 668
GLN A 643
THR A 640
THR A 683
 None
None
None
B12  A 800 ( 4.9A)
 1.31A 2zj0D-1e1cA:
4.2		 2zj0D-1e1cA:
22.43
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 1.11A 3ablP-4rasA:
undetectable
3ablW-4rasA:
undetectable		 3ablP-4rasA:
15.49
3ablW-4rasA:
5.54
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.
3ABL_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 3ablC-4rkuB:
2.9
3ablN-4rkuB:
undetectable
3ablP-4rkuB:
2.8		 3ablC-4rkuB:
16.14
3ablN-4rkuB:
22.74
3ablP-4rkuB:
16.14
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9
SMALL GTP-BINDING
PROTEIN-LIKE
(Arabidopsis
thaliana) 		5 / 8 VAL B  27
GLY A 183
GLU A 186
PHE A 130
ALA A 181
 None
None
GNH  B1200 ( 4.8A)
None
None
 1.20A 3aruA-2efeB:
2.1		 3aruA-2efeB:
16.20
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
(Methanothermobac
ter
thermautotrophic
us) 		4 / 8 VAL B 129
GLY B 135
THR B 136
ALA B 139
 None
PO4  B1237 (-3.5A)
PO4  B1237 (-2.8A)
None
 0.65A 3aruA-2wnrB:
undetectable		 3aruA-2wnrB:
17.32
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.14A 3asnC-4rkuB:
2.9
3asnN-4rkuB:
undetectable
3asnP-4rkuB:
3.0		 3asnC-4rkuB:
16.14
3asnN-4rkuB:
22.74
3asnP-4rkuB:
16.14
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.15A 3asoA-4rkuB:
undetectable
3asoC-4rkuB:
2.9
3asoP-4rkuB:
2.9		 3asoA-4rkuB:
22.74
3asoC-4rkuB:
16.14
3asoP-4rkuB:
16.14
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.
3ASO_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 3asoC-4rkuB:
2.9
3asoN-4rkuB:
undetectable
3asoP-4rkuB:
2.9		 3asoC-4rkuB:
16.14
3asoN-4rkuB:
22.74
3asoP-4rkuB:
16.14
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.
3BJW_H_SVRH504_3
(PHOSPHOLIPASE A2)		 3any ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli) 		5 / 11 VAL B 207
LEU B 224
ILE B 259
SER B 260
SER B 237
 B12  B 601 (-3.6A)
None
None
B12  B 601 (-3.2A)
None
 1.33A 3bjwH-3anyB:
undetectable		 3bjwH-3anyB:
17.41
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.
3CCF_B_BEZB261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 3v0a NTNH
(Clostridium
botulinum) 		4 / 8 ILE B 236
TRP B 332
PHE B 288
TYR B 231
 None
None
MES  B1202 ( 4.0A)
None
 1.29A 3ccfB-3v0aB:
undetectable		 3ccfB-3v0aB:
12.04
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.
3CE6_B_ADNB500_2
(ADENOSYLHOMOCYSTEINA
SE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 5 LEU A 668
GLN A 643
THR A 640
THR A 683
 None
None
None
B12  A 800 ( 4.9A)
 1.28A 3ce6B-1e1cA:
4.9		 3ce6B-1e1cA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 6 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.67A 3cfqA-3f8uB:
undetectable		 3cfqA-3f8uB:
12.66
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.
3CFQ_B_DIFB1_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 7 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.76A 3cfqA-3f8uB:
undetectable
3cfqB-3f8uB:
4.0		 3cfqA-3f8uB:
12.66
3cfqB-3f8uB:
12.66
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 728
ALA A 732
ALA A 731
ALA A 600
ILE A 479
 None
None
B12  A 800 ( 4.4A)
None
None
 1.06A 3e00A-2xijA:
undetectable		 3e00A-2xijA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_D_SAMD300_0
(PUTATIVE RRNA
METHYLASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 GLY B 207
ILE B 254
GLY B 170
LEU B 235
THR B 232
 SF4  B1275 ( 4.0A)
SF4  B1275 ( 4.6A)
None
SF4  B1275 (-3.7A)
SF4  B1275 (-3.4A)
 1.18A 3eeyD-4ci0B:
undetectable		 3eeyD-4ci0B:
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 GLY B 207
ILE B 254
GLY B 170
LEU B 235
THR B 232
 SF4  B1275 ( 4.0A)
SF4  B1275 ( 4.6A)
None
SF4  B1275 (-3.7A)
SF4  B1275 (-3.4A)
 1.12A 3eeyJ-4ci0B:
undetectable		 3eeyJ-4ci0B:
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.
3ELZ_A_CHDA151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 7 ILE A  43
GLY A 113
VAL A  69
LEU A  50
 None
B12  A1101 ( 4.8A)
None
None
 0.88A 3elzA-5cjuA:
undetectable		 3elzA-5cjuA:
8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 10 ILE A 174
ILE A 196
PHE A 287
TYR A  89
ARG A 207
 None
None
DCA  A 801 ( 4.5A)
DCA  A 801 (-4.0A)
B12  A 800 (-3.9A)
 1.35A 3elzB-1e1cA:
0.0		 3elzB-1e1cA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G88_A_SAMA303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 11 GLY A 137
GLY A 140
ASP A 118
THR A 121
ALA A 133
 None
B12  A 800 ( 4.3A)
None
None
None
 1.00A 3g88A-1e1cA:
0.0		 3g88A-1e1cA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G88_B_SAMB303_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE G)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 11 GLY A 137
GLY A 140
ASP A 118
THR A 121
ALA A 133
 None
B12  A 800 ( 4.3A)
None
None
None
 1.00A 3g88B-1e1cA:
0.0		 3g88B-1e1cA:
17.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		4 / 6 VAL A 123
LEU A 138
ILE A 166
ILE A 158
 None
B12  A 802 ( 4.0A)
None
None
 0.91A 3gcsA-5ul4A:
undetectable		 3gcsA-5ul4A:
20.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GGU_B_017B201_2
(PROTEASE)		 1xrs D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii) 		5 / 9 GLY B 238
ALA B 237
ASP B 236
ILE B 140
THR B 250
 None
None
None
B12  B 800 (-4.8A)
None
 1.00A 3gguB-1xrsB:
undetectable		 3gguB-1xrsB:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		3 / 3 MET B 583
MET A 691
PHE B 576
 None
CLA  A9013 ( 3.6A)
CLA  B1226 (-3.7A)
 1.28A 3gn8A-4rkuB:
undetectable		 3gn8A-4rkuB:
16.20
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.
3I5U_A_SAMA401_0
(O-METHYLTRANSFERASE)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 12 LEU A 169
GLY A 150
PRO A 161
ALA A 147
ASP A 181
 B12  A 503 (-4.1A)
None
None
None
None
 1.20A 3i5uA-5t8yA:
undetectable		 3i5uA-5t8yA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3I5U_B_SAMB401_0
(O-METHYLTRANSFERASE)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 12 LEU A 169
GLY A 150
PRO A 161
ALA A 147
ASP A 181
 B12  A 503 (-4.1A)
None
None
None
None
 1.16A 3i5uB-5t8yA:
undetectable		 3i5uB-5t8yA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ID6_C_SAMC301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		5 / 12 THR A 494
SER A 489
ASP A 366
ALA A 365
ILE A 432
 None
B12  A 803 (-3.1A)
None
None
None
 1.17A 3id6C-4rasA:
undetectable		 3id6C-4rasA:
17.05
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.
3IJX_H_HCZH800_1
(GLUTAMATE RECEPTOR 2)		 2bb6 TRANSCOBALAMIN II
(Bos
taurus) 		4 / 5 PRO A 232
SER A 230
LEU A 263
SER A 262
 None
B12  A   0 (-3.2A)
None
None
 1.35A 3ijxH-2bb6A:
undetectable		 3ijxH-2bb6A:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ILT_H_TRUH800_1
(GLUTAMATE RECEPTOR 2)		 3any ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli) 		3 / 3 ILE B 174
SER B 239
SER B 237
 None
B12  B 601 ( 4.6A)
None
 0.58A 3iltH-3anyB:
undetectable		 3iltH-3anyB:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_H_LFXH0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE LARGE
SUBUNIT
2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT
(Aquincola
tertiaricarbonis) 		4 / 6 ARG A 557
GLY C  14
GLU A 140
GLU A 136
 None
None
B12  C 800 ( 3.5A)
None
 1.13A 3k9fA-4r3uA:
1.8
3k9fB-4r3uA:
1.8
3k9fD-4r3uA:
2.0		 3k9fA-4r3uA:
24.29
3k9fB-4r3uA:
24.29
3k9fD-4r3uA:
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans
;
Carboxydothermus
hydrogenoformans) 		5 / 12 GLY I 400
LEU A 373
GLU I 404
ALA I 402
ASN I 509
 B12  I1631 ( 3.8A)
B12  I1631 (-4.1A)
None
None
B12  I1631 (-4.2A)
 1.14A 3kkzA-4c1nI:
undetectable		 3kkzA-4c1nI:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KMO_A_EAAA214_1
(GLUTATHIONE
S-TRANSFERASE P)		 2efe SMALL GTP-BINDING
PROTEIN-LIKE
(Arabidopsis
thaliana) 		5 / 9 VAL B  89
GLY B 122
GLN B  69
ASN B 123
GLY B  22
 None
None
None
GNH  B1200 (-3.4A)
GNH  B1200 (-3.2A)
 1.34A 3kmoA-2efeB:
undetectable		 3kmoA-2efeB:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_A_URFA254_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 6 GLY A 708
GLN A 339
ARG A 471
ILE A 457
 B12  A 800 ( 4.4A)
None
None
None
 1.14A 3kvvA-1e1cA:
undetectable		 3kvvA-1e1cA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_B_URFB254_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 6 GLY A 708
GLN A 339
ARG A 471
ILE A 457
 B12  A 800 ( 4.4A)
None
None
None
 1.15A 3kvvB-1e1cA:
2.7		 3kvvB-1e1cA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_C_URFC254_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 6 GLY A 708
GLN A 339
ARG A 471
ILE A 457
 B12  A 800 ( 4.4A)
None
None
None
 1.13A 3kvvC-1e1cA:
2.7		 3kvvC-1e1cA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_E_URFE254_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 6 GLY A 708
GLN A 339
ARG A 471
ILE A 457
 B12  A 800 ( 4.4A)
None
None
None
 1.11A 3kvvE-1e1cA:
2.6		 3kvvE-1e1cA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KVV_F_URFF254_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 6 GLY A 708
GLN A 339
ARG A 471
ILE A 457
 B12  A 800 ( 4.4A)
None
None
None
 1.16A 3kvvF-1e1cA:
2.8		 3kvvF-1e1cA:
16.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_D_CELD682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2cfa THYMIDYLATE SYNTHASE
(Paramecium
bursaria
Chlorella
virus
1) 		4 / 5 LEU B 213
ARG B 173
ILE B  56
PHE B  57
 None
FAD  B1217 ( 3.9A)
None
None
 1.14A 3ln1D-2cfaB:
0.0		 3ln1D-2cfaB:
17.31
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.
3LP1_A_NVPA701_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.32A 3lp1A-1k7yA:
1.1		 3lp1A-1k7yA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LS4_H_TCIH220_1
(HEAVY CHAIN OF
ANTIBODY FAB
FRAGMENT)		 3any ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli) 		5 / 10 VAL B 226
LEU B 224
SER B 239
GLY B 168
GLY B 205
 None
None
B12  B 601 ( 4.6A)
B12  B 601 ( 4.3A)
None
 0.96A 3ls4H-3anyB:
undetectable		 3ls4H-3anyB:
22.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LW5_A_PQNA5001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		6 / 9 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 671
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.7A)
 1.45A 3lw5A-4rkuB:
32.4		 3lw5A-4rkuB:
44.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 10 ILE B  25
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1201 ( 4.7A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.59A 3lw5B-4rkuB:
15.5		 3lw5B-4rkuB:
98.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		7 / 10 ILE B  25
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1201 ( 4.7A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.27A 3lw5B-4rkuB:
15.5		 3lw5B-4rkuB:
98.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		8 / 10 ILE B  25
MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ALA B 697
LEU B 698
 CLA  B1201 ( 4.6A)
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
 0.96A 3lw5B-6fosB:
11.5		 3lw5B-6fosB:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		8 / 10 ILE B  25
MET B 660
PHE B 661
SER B 664
TRP B 669
ALA B 697
LEU B 698
ALA B 703
 CLA  B1201 ( 4.6A)
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
PQN  B2002 (-3.3A)
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.86A 3lw5B-6fosB:
11.5		 3lw5B-6fosB:
11.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3M0W_E_P77E203_1
(PROTEIN S100-A4)		 2cfa THYMIDYLATE SYNTHASE
(Paramecium
bursaria
Chlorella
virus
1) 		4 / 8 SER B  81
CYH B 198
PHE B 202
LEU B 194
 FAD  B1217 (-2.6A)
None
None
None
 1.04A 3m0wE-2cfaB:
undetectable
3m0wF-2cfaB:
undetectable
3m0wG-2cfaB:
undetectable
3m0wH-2cfaB:
undetectable		 3m0wE-2cfaB:
18.04
3m0wF-2cfaB:
18.04
3m0wG-2cfaB:
18.04
3m0wH-2cfaB:
18.04
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.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
ASN B 502
HIS B 467
 None
None
None
None
CLA  B1231 (-3.9A)
 1.38A 3mekA-4rkuB:
2.3		 3mekA-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MEK_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.36A 3mekA-4rkuB:
2.3		 3mekA-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NXU_A_RITA600_1
(CYTOCHROME P450 3A4)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 SER B 202
ILE B 199
ALA B 274
ALA B 357
GLY B 260
 None
None
None
CLA  B1215 (-3.5A)
None
 1.06A 3nxuA-4rkuB:
undetectable		 3nxuA-4rkuB:
21.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 LEU A 394
THR A 499
GLY A 725
PRO A 724
 None
None
B12  A 800 ( 4.4A)
B12  A 800 (-4.0A)
 0.88A 3ny4A-2xijA:
undetectable		 3ny4A-2xijA:
16.04
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		5 / 12 ALA A 296
GLY A 289
GLY A 291
ILE A 330
ASP A 362
 None
None
None
B12  B 601 (-4.3A)
2A3  A 602 (-3.8A)
 1.04A 3o7wA-3anyA:
undetectable		 3o7wA-3anyA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		5 / 12 ALA A 296
GLY A 289
GLY A 291
PHE A 329
ILE A 330
 None
None
None
2A3  A 602 (-3.8A)
B12  B 601 (-4.3A)
 0.97A 3o7wA-3anyA:
undetectable		 3o7wA-3anyA:
21.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3PCQ_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		11 / 11 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.26A 3pcqB-4rkuB:
43.6		 3pcqB-4rkuB:
78.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QIP_A_NVPA561_1
(REVERSE HIV-1
REVERSE
TRANSCRIPTASE P66)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.34A 3qipA-1k7yA:
1.1		 3qipA-1k7yA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QPK_A_CUA601_0
(LACCASE-1)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 5 HIS B 389
ILE B 392
HIS B 331
LEU B 334
 CLA  B1226 (-4.0A)
CLA  B1226 (-4.4A)
CLA  B1202 ( 3.8A)
CLA  B1202 ( 3.8A)
 1.50A 3qpkA-4rkuB:
undetectable		 3qpkA-4rkuB:
22.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QWP_A_SAMA510_0
(SET AND MYND
DOMAIN-CONTAINING
PROTEIN 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.38A 3qwpA-4rkuB:
undetectable		 3qwpA-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		4 / 8 ASN A 193
TYR A 404
LEU A 402
PHE A 329
 2A3  A 602 ( 3.1A)
None
B12  B 601 (-4.5A)
2A3  A 602 (-3.8A)
 1.10A 3rqwC-3anyA:
undetectable
3rqwD-3anyA:
undetectable		 3rqwC-3anyA:
20.76
3rqwD-3anyA:
20.76
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.
3RQW_J_ACHJ323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		4 / 8 TYR A 404
LEU A 402
PHE A 329
ASN A 193
 None
B12  B 601 (-4.5A)
2A3  A 602 (-3.8A)
2A3  A 602 ( 3.1A)
 1.13A 3rqwF-3anyA:
undetectable
3rqwJ-3anyA:
undetectable		 3rqwF-3anyA:
20.76
3rqwJ-3anyA:
20.76
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		5 / 12 ARG B 942
GLN B  63
GLY B  12
GLY B  62
ASN B  94
 GDP  B1201 ( 3.4A)
ALF  B1203 (-3.0A)
None
ALF  B1203 (-3.3A)
None
 1.24A 3sxjA-5jcpB:
undetectable		 3sxjA-5jcpB:
22.20
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.
3SXJ_B_SAMB258_0
(PUTATIVE
METHYLTRANSFERASE)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		5 / 12 ARG B 942
GLN B  63
GLY B  12
GLY B  62
ASN B  94
 GDP  B1201 ( 3.4A)
ALF  B1203 (-3.0A)
None
ALF  B1203 (-3.3A)
None
 1.25A 3sxjB-5jcpB:
undetectable		 3sxjB-5jcpB:
22.20
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 PHE B 244
PHE B 360
THR B 126
LEU B 270
 None
None
CLA  B1215 ( 4.7A)
None
 1.02A 3t3sC-4rkuB:
1.9		 3t3sC-4rkuB:
21.27
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.
3T7S_B_SAMB300_0
(PUTATIVE
METHYLTRANSFERASE)		 5jcp ARF-GAP WITH RHO-GAP
DOMAIN, ANK REPEAT
AND PH
DOMAIN-CONTAINING
PROTEIN
3,LINKER,TRANSFORMIN
G PROTEIN RHOA
(Homo
sapiens;
synthetic
construct) 		5 / 12 ARG B 942
GLN B  63
GLY B  12
GLY B  62
ASN B  94
 GDP  B1201 ( 3.4A)
ALF  B1203 (-3.0A)
None
ALF  B1203 (-3.3A)
None
 1.25A 3t7sB-5jcpB:
undetectable		 3t7sB-5jcpB:
20.37
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.
3TBG_D_RTZD1_1
(CYTOCHROME P450 2D6)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 PHE B 293
LEU B 173
GLY B 179
LEU B 180
ALA B 285
 None
None
CLA  B1210 ( 4.7A)
CLA  B1210 (-3.6A)
None
 1.13A 3tbgD-6fosB:
undetectable		 3tbgD-6fosB:
12.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TEG_A_DAHA416_1
(PHENYLALANYL-TRNA
SYNTHETASE,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		5 / 12 SER A 422
GLY A 413
GLY A 558
ALA A 560
GLY A 562
 B12  A 803 (-3.4A)
None
None
None
B12  A 803 (-3.5A)
 1.05A 3tegA-4rasA:
undetectable		 3tegA-4rasA:
19.18
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 5d6s EPOXYQUEUOSINE
REDUCTASE
(Streptococcus
thermophilus) 		4 / 6 SER A  33
VAL A 135
THR A  43
THR A  44
 B12  A 403 ( 4.0A)
B12  A 403 (-4.1A)
None
B12  A 403 (-3.8A)
 0.88A 3tneA-5d6sA:
undetectable		 3tneA-5d6sA:
19.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT V,
CHLOROPLASTIC
(Pisum
sativum) 		5 / 11 GLN G  94
ARG G 107
GLY G  98
GLY B 298
ASN B 176
 None
None
None
CLA  B1218 (-3.8A)
None
 1.49A 3v3nA-4rkuG:
undetectable		 3v3nA-4rkuG:
13.76
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.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT V,
CHLOROPLASTIC
(Pisum
sativum) 		5 / 11 GLN G  94
ARG G 107
GLY G  98
GLY B 298
ASN B 176
 None
None
None
CLA  B1218 (-3.8A)
None
 1.49A 3v3nD-4rkuG:
undetectable		 3v3nD-4rkuG:
13.76
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.
3W68_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes;
Wolinella
succinogenes) 		5 / 12 TYR A 521
ILE A 182
VAL A 230
PHE B  53
VAL B  56
 None
None
None
None
FES  B1240 (-4.8A)
 0.97A 3w68B-1qlbA:
undetectable		 3w68B-1qlbA:
17.22
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.
3W9T_A_W9TA1001_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.22A 3w9tA-5t8yA:
undetectable		 3w9tA-5t8yA:
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.
3W9T_B_W9TB501_1
(HEMOLYTIC LECTIN
CEL-III)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 5 ASP A 415
SER A 418
TRP A 614
ASP A 616
 None
B12  A 803 ( 4.6A)
None
None
 1.44A 3w9tB-4rasA:
undetectable		 3w9tB-4rasA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB503_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.20A 3w9tB-5t8yA:
undetectable		 3w9tB-5t8yA:
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.
3W9T_C_W9TC1001_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.21A 3w9tC-5t8yA:
undetectable		 3w9tC-5t8yA:
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.
3W9T_C_W9TC1003_1
(HEMOLYTIC LECTIN
CEL-III)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 5 ASP A 415
SER A 418
TRP A 614
ASP A 616
 None
B12  A 803 ( 4.6A)
None
None
 1.45A 3w9tC-4rasA:
undetectable		 3w9tC-4rasA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_D_W9TD501_1
(HEMOLYTIC LECTIN
CEL-III)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 5 ASP A 415
SER A 418
TRP A 614
ASP A 616
 None
B12  A 803 ( 4.6A)
None
None
 1.45A 3w9tD-4rasA:
undetectable		 3w9tD-4rasA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_D_W9TD502_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.20A 3w9tD-5t8yA:
undetectable		 3w9tD-5t8yA:
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.
3W9T_E_W9TE504_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.21A 3w9tE-5t8yA:
undetectable		 3w9tE-5t8yA:
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.
3W9T_F_W9TF504_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.21A 3w9tF-5t8yA:
undetectable		 3w9tF-5t8yA:
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.
3W9T_G_W9TG504_1
(HEMOLYTIC LECTIN
CEL-III)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 5 ASP A 104
VAL A 290
GLY A 292
TYR A 105
 None
None
None
B12  A 503 (-4.7A)
 1.21A 3w9tG-5t8yA:
undetectable		 3w9tG-5t8yA:
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.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 ALA A1175
GLY A1066
LEU A 987
LEU A1095
ILE A 938
 B12  A1248 (-4.6A)
None
None
None
None
 1.11A 3wdmB-1k7yA:
4.5		 3wdmB-1k7yA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3X2Q_P_CHDP308_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.14A 3x2qC-4rkuB:
2.9
3x2qN-4rkuB:
2.3
3x2qP-4rkuB:
2.9		 3x2qC-4rkuB:
16.14
3x2qN-4rkuB:
22.74
3x2qP-4rkuB:
16.14
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.
4A99_D_MIYD391_1
(TETX2 PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT V,
CHLOROPLASTIC
(Pisum
sativum) 		5 / 11 GLN G  94
ARG G 107
GLY G  98
GLY B 298
ASN B 176
 None
None
None
CLA  B1218 (-3.8A)
None
 1.45A 4a99D-4rkuG:
undetectable		 4a99D-4rkuG:
13.32
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.
4A9K_B_TYLB2198_1
(CREB-BINDING PROTEIN)		 2bb6 TRANSCOBALAMIN II
(Bos
taurus) 		4 / 5 VAL A 384
LEU A 342
ILE A 396
VAL A 371
 B12  A   0 (-4.3A)
None
None
None
 0.96A 4a9kB-2bb6A:
undetectable		 4a9kB-2bb6A:
15.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZV_A_SAMA1474_0
(WBDD)		 4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT
(Aquincola
tertiaricarbonis) 		6 / 12 ALA C  26
ILE C 122
ARG C 127
ILE C 126
LEU C   9
VAL C   8
 None
B12  C 800 (-4.4A)
None
None
None
None
 1.44A 4azvA-4r3uC:
4.4		 4azvA-4r3uC:
15.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BQF_A_QPSA951_1
(ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		4 / 6 GLY A 141
ARG A 135
GLU A 308
ARG A 311
 None
B12  A 802 ( 3.2A)
B12  A 802 (-3.4A)
B12  A 802 (-3.3A)
 1.36A 4bqfA-5ul4A:
4.9		 4bqfA-5ul4A:
22.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_A_X8ZA350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		6 / 9 TRP B  87
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.28A 4c1dA-2yntB:
34.0		 4c1dA-2yntB:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1D_B_X8ZB350_1
(BETA-LACTAMASE CLASS
B VIM-2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		7 / 10 TRP B  87
HIS B 116
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.31A 4c1dB-2yntB:
33.8		 4c1dB-2yntB:
34.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		6 / 11 HIS B 116
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.39A 4c1fA-2yntB:
35.7
4c1fB-2yntB:
35.4		 4c1fA-2yntB:
44.40
4c1fB-2yntB:
44.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1F_A_X8ZA300_1
(BETA-LACTAMASE IMP-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 VAL B  67
HIS B 116
ASP B 120
HIS B 196
CYH B 221
 None
ZN  B1297 (-3.2A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
 1.33A 4c1fA-2yntB:
35.7
4c1fB-2yntB:
35.4		 4c1fA-2yntB:
44.40
4c1fB-2yntB:
44.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		7 / 9 HIS B 116
HIS B 118
ASP B 120
HIS B 196
CYH B 221
GLY B 232
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
None
ZN  B1298 (-3.2A)
 0.50A 4c1hA-2yntB:
33.2		 4c1hA-2yntB:
40.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4C1H_A_X8ZA305_1
(BETA-LACTAMASE 2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		7 / 9 TRP B  87
HIS B 116
ASP B 120
HIS B 196
CYH B 221
GLY B 232
HIS B 263
 None
ZN  B1297 (-3.2A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
None
ZN  B1298 (-3.2A)
 0.90A 4c1hA-2yntB:
33.2		 4c1hA-2yntB:
40.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 7 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.84A 4d7bA-3f8uB:
3.8		 4d7bA-3f8uB:
14.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_A_SAMA301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 TYR B  79
THR B 136
GLU B 100
 None
PO4  B1237 (-2.8A)
None
 0.73A 4df3A-2wnrB:
undetectable		 4df3A-2wnrB:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DF3_B_SAMB301_1
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		 2wnr PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1
(Methanothermobac
ter
thermautotrophic
us) 		3 / 3 TYR B  79
THR B 136
GLU B 100
 None
PO4  B1237 (-2.8A)
None
 0.74A 4df3B-2wnrB:
undetectable		 4df3B-2wnrB:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DX7_B_DM2B1104_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 GLN A 476
GLU A 484
ILE A 468
VAL A 227
 B12  A 800 (-3.9A)
None
None
B12  A 800 (-4.5A)
 0.95A 4dx7B-2xijA:
undetectable		 4dx7B-2xijA:
22.67
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 VAL A 120
LEU A 147
VAL A 155
LEU A 143
THR A 140
 None
None
None
B12  A 802 ( 4.7A)
None
 1.03A 4e3hA-5ul4A:
undetectable		 4e3hA-5ul4A:
16.27
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.
4E47_C_SAMC800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 11 ILE B 278
GLY B 182
GLY B 190
HIS B 274
TRP B 188
 CLA  B1215 ( 4.9A)
None
None
CLA  B1215 (-3.4A)
CLA  B1215 (-4.0A)
 1.26A 4e47C-6fosB:
undetectable		 4e47C-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.
4EXS_A_X8ZA301_1
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 9 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.01A 4exsA-2yntB:
31.8		 4exsA-2yntB:
29.66
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.
4EXS_A_X8ZA301_1
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		6 / 9 VAL B  67
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.46A 4exsA-2yntB:
31.8		 4exsA-2yntB:
29.66
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 8 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.04A 4exsB-2yntB:
32.1		 4exsB-2yntB:
29.66
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.
4EXS_B_X8ZB301_1
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		6 / 8 VAL B  67
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.47A 4exsB-2yntB:
32.1		 4exsB-2yntB:
29.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FE1_A_PQNA846_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT VIII
(Pisum
sativum) 		5 / 10 MET B 662
PHE B 663
SER B 666
TRP B 671
MET I  21
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
CLA  B1206 (-3.7A)
 1.11A 4fe1A-4rkuB:
35.5
4fe1J-4rkuB:
undetectable		 4fe1A-4rkuB:
42.88
4fe1J-4rkuB:
4.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4FE1_B_PQNB840_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.30A 4fe1B-4rkuB:
42.4		 4fe1B-4rkuB:
78.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FOG_A_C2FA302_0
(THYMIDYLATE SYNTHASE)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		5 / 11 HIS A 459
SER A 489
ILE A 463
ASP A 501
GLY A 369
 B12  A 803 (-4.0A)
B12  A 803 (-3.1A)
B12  A 803 (-4.5A)
None
None
 1.39A 4fogA-4rasA:
undetectable		 4fogA-4rasA:
15.83
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.
4FOX_H_D16H301_1
(THYMIDYLATE SYNTHASE)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		5 / 11 HIS A 459
SER A 489
ILE A 463
ASP A 501
GLY A 369
 B12  A 803 (-4.0A)
B12  A 803 (-3.1A)
B12  A 803 (-4.5A)
None
None
 1.41A 4foxH-4rasA:
undetectable		 4foxH-4rasA:
15.83
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.
4HOJ_A_ACTA303_0
(REGF PROTEIN)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 5 VAL B 407
ARG B 410
MET B 411
GLU B 413
 CLA  B1220 (-4.1A)
CLA  B1227 (-3.9A)
CLA  B1227 (-3.9A)
CLA  B1227 (-3.9A)
 1.07A 4hojA-4rkuB:
undetectable		 4hojA-4rkuB:
13.07
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.
4IKI_B_IMNB201_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 6 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.90A 4ikiB-3f8uB:
undetectable		 4ikiB-3f8uB:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		 3f8u TAPASIN
(Homo
sapiens) 		4 / 7 ALA B 163
LEU B 142
SER B 161
THR B 231
 None
None
NAG  B1233 ( 4.6A)
None
 0.82A 4ikkA-3f8uB:
2.9
4ikkB-3f8uB:
undetectable		 4ikkA-3f8uB:
15.36
4ikkB-3f8uB:
15.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 10 ALA A 600
LEU A 641
PHE A 638
ILE A 634
ALA A 477
 None
None
B12  A 800 ( 4.9A)
B12  A 800 (-4.0A)
None
 1.06A 4j14A-2xijA:
undetectable		 4j14A-2xijA:
23.81
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.
4JDS_C_SAMC401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 11 ILE B 278
GLY B 182
GLY B 190
HIS B 274
TRP B 188
 CLA  B1215 ( 4.9A)
None
None
CLA  B1215 (-3.4A)
CLA  B1215 (-4.0A)
 1.25A 4jdsC-6fosB:
undetectable		 4jdsC-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.
4JLG_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		5 / 12 ILE B 278
GLY B 182
GLY B 190
HIS B 274
TRP B 188
 CLA  B1215 ( 4.9A)
None
None
CLA  B1215 (-3.4A)
CLA  B1215 (-4.0A)
 1.20A 4jlgA-6fosB:
undetectable		 4jlgA-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.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		3 / 3 TYR B 593
GLN B 376
TRP B 589
 CLA  B1234 (-3.4A)
CLA  B1222 (-3.4A)
CLA  B9010 ( 3.4A)
 1.18A 4kn2C-4rkuB:
undetectable		 4kn2C-4rkuB:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 5d6s EPOXYQUEUOSINE
REDUCTASE
(Streptococcus
thermophilus) 		3 / 3 TYR A 101
GLN A 216
TRP A  97
 B12  A 403 ( 4.9A)
B12  A 403 ( 4.2A)
None
 0.95A 4kn2C-5d6sA:
undetectable		 4kn2C-5d6sA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KN2_C_LYAC304_2
(FOLATE RECEPTOR BETA)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		3 / 3 TYR A 105
GLN A 220
TRP A 101
 B12  A 503 (-4.7A)
B12  A 503 ( 4.3A)
None
 0.92A 4kn2C-5t8yA:
undetectable		 4kn2C-5t8yA:
17.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4KT0_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.29A 4kt0B-4rkuB:
48.5		 4kt0B-4rkuB:
78.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_1_PQN12001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 11 TRP B  22
MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.57A 4l6v1-4rkuB:
34.0
4l6v6-4rkuB:
2.1		 4l6v1-4rkuB:
42.75
4l6v6-4rkuB:
11.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_2_PQN22002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.33A 4l6v2-4rkuB:
43.4		 4l6v2-4rkuB:
78.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		7 / 9 TRP B  22
MET B 662
PHE B 663
SER B 666
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.57A 4l6va-4rkuB:
34.0
4l6vf-4rkuB:
0.4		 4l6va-4rkuB:
42.75
4l6vf-4rkuB:
11.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4L6V_B_PQNB2002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.32A 4l6vB-4rkuB:
43.3		 4l6vB-4rkuB:
78.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 11 THR A 683
LEU A 668
VAL A 649
ILE A 600
LEU A 718
 B12  A 800 ( 4.9A)
None
None
None
None
 1.36A 4lhmA-1e1cA:
2.7		 4lhmA-1e1cA:
22.81
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.
4LNW_A_T3A501_2
(THYROID HORMONE
RECEPTOR ALPHA)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		3 / 3 ILE A  81
MET A 153
ARG A 156
 None
B12  A1101 ( 3.7A)
None
 0.76A 4lnwA-5cjuA:
undetectable		 4lnwA-5cjuA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LNX_A_T3A502_2
(THYROID HORMONE
RECEPTOR ALPHA)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		3 / 3 ILE A  81
MET A 153
ARG A 156
 None
B12  A1101 ( 3.7A)
None
 0.75A 4lnxA-5cjuA:
undetectable		 4lnxA-5cjuA:
13.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MX0_A_BCZA513_1
(NEURAMINIDASE)		 4r10 PROTEIN HUMPBACK-2
(Caenorhabditis
elegans) 		3 / 3 ARG A 271
ASP A 227
ARG A 306
 SEP  B1212 ( 4.2A)
None
SEP  B1212 ( 4.0A)
 0.82A 4mx0A-4r10A:
undetectable		 4mx0A-4r10A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli) 		4 / 6 LEU A 402
ASP A 168
VAL B  75
ALA B  76
 B12  B 601 (-4.5A)
None
None
None
 1.02A 4nkxA-3anyA:
undetectable		 4nkxA-3anyA:
20.60
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 728
ALA A 732
ALA A 731
LEU A 641
ILE A 479
 None
None
B12  A 800 ( 4.4A)
None
None
 0.91A 4nqaH-2xijA:
undetectable		 4nqaH-2xijA:
18.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_A_IPHA101_0
(INSULIN)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 10 CYH A 156
LEU A 209
CYH A 194
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 501 (-2.2A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.07A 4p65A-5t8yA:
undetectable
4p65B-5t8yA:
undetectable
4p65F-5t8yA:
undetectable
4p65H-5t8yA:
undetectable		 4p65A-5t8yA:
3.62
4p65B-5t8yA:
5.66
4p65F-5t8yA:
5.66
4p65H-5t8yA:
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.
4P65_C_IPHC101_0
(INSULIN)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		5 / 11 CYH A 156
LEU A 209
CYH A 194
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 501 (-2.2A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.06A 4p65C-5t8yA:
undetectable
4p65D-5t8yA:
undetectable
4p65J-5t8yA:
undetectable
4p65L-5t8yA:
undetectable		 4p65C-5t8yA:
3.62
4p65D-5t8yA:
5.66
4p65J-5t8yA:
5.66
4p65L-5t8yA:
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.
4PCL_B_SAMB301_0
(O-METHYLTRANSFERASE
FAMILY PROTEIN)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLU I 404
GLY I 405
CYH I 445
ALA I 402
ASN I 509
 None
None
None
None
B12  I1631 (-4.2A)
 1.43A 4pclB-4c1nI:
undetectable		 4pclB-4c1nI:
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.
4PH9_A_IBPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4r3u 2-HYDROXYISOBUTYRYL-
COA MUTASE SMALL
SUBUNIT
(Aquincola
tertiaricarbonis) 		5 / 10 VAL C  59
VAL C  25
LEU C  29
GLY C  93
SER C  63
 None
B12  C 800 (-4.9A)
None
B12  C 800 (-3.4A)
B12  C 800 (-2.9A)
 1.14A 4ph9A-4r3uC:
undetectable		 4ph9A-4r3uC:
14.16
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.
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.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 12 LEU B 199
ILE B 254
GLN B 258
ALA B 134
ILE B 177
 None
SF4  B1275 ( 4.6A)
None
None
None
 1.21A 4rp8C-4ci0B:
undetectable		 4rp8C-4ci0B:
18.67
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.
4TXN_D_URFD302_1
(URIDINE
PHOSPHORYLASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 7 THR A 706
GLY A 708
ARG A 471
ALA A 338
 None
B12  A 800 ( 4.4A)
None
None
 0.96A 4txnD-1e1cA:
2.4		 4txnD-1e1cA:
18.02
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.
4UUU_B_SAMB1548_0
(CYSTATHIONINE
BETA-SYNTHASE)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		5 / 11 SER A 656
ALA A 373
VAL A 687
THR A 706
ILE A 704
 None
B12  A 800 (-4.5A)
B12  A 800 (-4.6A)
None
None
 1.26A 4uuuB-1e1cA:
0.0		 4uuuB-1e1cA:
11.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ALA A 405
LEU A 385
GLY A 355
LEU A 358
PRO A 397
 None
None
B12  A 800 ( 4.4A)
None
None
 0.98A 4xi3B-2xijA:
undetectable		 4xi3B-2xijA:
15.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4XK8_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		10 / 10 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.29A 4xk8B-4rkuB:
48.3		 4xk8B-4rkuB:
98.22
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.
4XUC_A_SAMA303_0
(CATECHOL
O-METHYLTRANSFERASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ASN A 229
VAL A 227
TYR A 231
ILE A 242
GLN A 293
 None
B12  A 800 (-4.5A)
None
None
None
 1.44A 4xucA-2xijA:
3.9		 4xucA-2xijA:
15.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Y28_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.27A 4y28B-4rkuB:
45.0		 4y28B-4rkuB:
99.18
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 10 VAL A 127
GLU A 141
VAL A 123
SER A 145
LEU A 148
 B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
None
B12  A 300 (-3.0A)
None
 1.14A 4yb6A-5c8aA:
undetectable
4yb6E-5c8aA:
undetectable		 4yb6A-5c8aA:
25.57
4yb6E-5c8aA:
25.57
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.
4YB6_A_HISA302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 GLY A 216
VAL A 215
THR A 140
VAL A 185
LEU A 122
 B12  A 802 (-3.6A)
None
None
None
None
 1.32A 4yb6A-5ul4A:
undetectable
4yb6E-5ul4A:
undetectable		 4yb6A-5ul4A:
20.00
4yb6E-5ul4A:
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 10 VAL A 127
GLU A 141
VAL A 123
SER A 145
LEU A 148
 B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
None
B12  A 300 (-3.0A)
None
 1.14A 4yb6B-5c8aA:
undetectable
4yb6C-5c8aA:
2.2		 4yb6B-5c8aA:
25.57
4yb6C-5c8aA:
25.57
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.
4YB6_B_HISB302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 GLY A 216
VAL A 215
THR A 140
VAL A 185
LEU A 122
 B12  A 802 (-3.6A)
None
None
None
None
 1.30A 4yb6B-5ul4A:
undetectable
4yb6C-5ul4A:
undetectable		 4yb6B-5ul4A:
20.00
4yb6C-5ul4A:
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 10 GLY A 128
VAL A 127
GLU A 141
SER A 145
LEU A 148
 B12  A 300 (-3.6A)
B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
B12  A 300 (-3.0A)
None
 1.36A 4yb6C-5c8aA:
2.2
4yb6F-5c8aA:
undetectable		 4yb6C-5c8aA:
25.57
4yb6F-5c8aA:
25.57
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.
4YB6_C_HISC302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 GLY A 216
VAL A 215
THR A 140
VAL A 185
LEU A 122
 B12  A 802 (-3.6A)
None
None
None
None
 1.31A 4yb6C-5ul4A:
undetectable
4yb6F-5ul4A:
undetectable		 4yb6C-5ul4A:
20.00
4yb6F-5ul4A:
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.
4YB6_D_HISD302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 LEU A 122
GLY A 216
VAL A 215
THR A 140
VAL A 185
 None
B12  A 802 (-3.6A)
None
None
None
 1.31A 4yb6A-5ul4A:
undetectable
4yb6D-5ul4A:
undetectable		 4yb6A-5ul4A:
20.00
4yb6D-5ul4A:
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.
4YB6_E_HISE302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 LEU A 122
GLY A 216
VAL A 215
THR A 140
VAL A 185
 None
B12  A 802 (-3.6A)
None
None
None
 1.29A 4yb6D-5ul4A:
undetectable
4yb6E-5ul4A:
undetectable		 4yb6D-5ul4A:
20.00
4yb6E-5ul4A:
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 10 SER A 145
LEU A 148
VAL A 127
GLU A 141
VAL A 123
 B12  A 300 (-3.0A)
None
B12  A 300 ( 4.9A)
B12  A 300 ( 3.4A)
None
 1.16A 4yb6B-5c8aA:
undetectable
4yb6F-5c8aA:
undetectable		 4yb6B-5c8aA:
25.57
4yb6F-5c8aA:
25.57
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.
4YB6_F_HISF302_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 10 LEU A 122
GLY A 216
VAL A 215
THR A 140
VAL A 185
 None
B12  A 802 (-3.6A)
None
None
None
 1.30A 4yb6B-5ul4A:
undetectable
4yb6F-5ul4A:
undetectable		 4yb6B-5ul4A:
20.00
4yb6F-5ul4A:
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT
IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		5 / 12 GLY A 428
ILE I 251
GLY A 379
THR A 382
LEU A 413
 B12  I1631 ( 4.0A)
None
None
None
None
 1.18A 4zdyA-4c1nA:
undetectable		 4zdyA-4c1nA:
21.76
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.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		 3any ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN
(Escherichia
coli) 		4 / 7 VAL A 260
GLN A 246
LEU A 265
GLU A 267
 None
B12  B 601 (-2.9A)
None
None
 0.84A 4zphA-3anyA:
undetectable
4zphB-3anyA:
undetectable		 4zphA-3anyA:
21.89
4zphB-3anyA:
20.13
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.
5A06_B_SORB1341_0
(ALDOSE-ALDOSE
OXIDOREDUCTASE)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		4 / 7 PHE B 218
ARG B 121
ASP B  84
ILE B  83
 None
ZN  B1298 ( 4.5A)
None
None
 1.35A 5a06B-2yntB:
undetectable		 5a06B-2yntB:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 8 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.09A 5a5zA-2yntB:
32.1		 5a5zA-2yntB:
29.02
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.
5A5Z_A_WJZA304_0
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		6 / 8 VAL B  67
HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.59A 5a5zA-2yntB:
32.1		 5a5zA-2yntB:
29.02
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.
5A5Z_C_WJZC304_0
(BETA-LACTAMASE NDM-1)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		4 / 7 HIS B 196
CYH B 221
GLY B 232
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
None
ZN  B1298 (-3.2A)
 0.35A 5a5zC-2yntB:
32.1		 5a5zC-2yntB:
29.02
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 11 HIS B 116
HIS B 118
ASP B 120
HIS B 196
HIS B 263
 ZN  B1297 (-3.2A)
ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-3.2A)
 0.75A 5ayaA-2yntB:
17.4		 5ayaA-2yntB:
23.66
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 1.18A 5b1bC-4rasA:
undetectable
5b1bJ-4rasA:
undetectable		 5b1bC-4rasA:
15.49
5b1bJ-4rasA:
5.54
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.
5BPH_C_ACTC403_0
(D-ALANINE--D-ALANINE
LIGASE)		 3any ETHANOLAMINE
AMMONIA-LYASE LIGHT
CHAIN
(Escherichia
coli) 		4 / 4 TYR B 133
GLY B 227
SER B 170
LEU B 169
 None
None
None
B12  B 601 ( 4.4A)
 1.45A 5bphC-3anyB:
undetectable		 5bphC-3anyB:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 7 ASP A 627
ARG A 623
GLY A 621
THR A 645
 None
None
B12  A1801 (-3.3A)
None
 0.94A 5btaA-3koyA:
undetectable
5btaC-3koyA:
undetectable
5btaD-3koyA:
3.6		 5btaA-3koyA:
22.40
5btaC-3koyA:
22.40
5btaD-3koyA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 7 ASP A 627
ARG A 623
GLY A 621
THR A 645
 None
None
B12  A1801 (-3.3A)
None
 0.90A 5btfA-3koyA:
undetectable
5btfB-3koyA:
3.9
5btfC-3koyA:
undetectable		 5btfA-3koyA:
22.40
5btfB-3koyA:
18.36
5btfC-3koyA:
22.40
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.
5BTG_F_LFXF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 7 ASP A 627
ARG A 623
GLY A 621
THR A 645
 None
None
B12  A1801 (-3.3A)
None
 0.77A 5btgA-3koyA:
undetectable
5btgC-3koyA:
undetectable
5btgD-3koyA:
3.6		 5btgA-3koyA:
22.40
5btgC-3koyA:
22.40
5btgD-3koyA:
18.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCL_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.36A 5cclA-4rkuB:
undetectable		 5cclA-4rkuB:
18.67
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.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
ASN B 502
HIS B 467
 None
None
None
None
CLA  B1231 (-3.9A)
 1.39A 5ccmA-4rkuB:
1.0		 5ccmA-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CCM_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.39A 5ccmA-4rkuB:
1.0		 5ccmA-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 5 LEU A 665
ARG A 693
ILE A 664
ILE A 696
 B12  A1801 ( 3.8A)
None
None
None
 1.03A 5dzk4-3koyA:
undetectable
5dzkg-3koyA:
2.5
5dzkm-3koyA:
undetectable
5dzkn-3koyA:
undetectable		 5dzk4-3koyA:
0.63
5dzkg-3koyA:
14.80
5dzkm-3koyA:
14.08
5dzkn-3koyA:
14.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_V_BEZV801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 1i9c GLUTAMATE MUTASE
(Clostridium
cochlearium) 		4 / 4 ILE A  58
ILE A  86
ARG A  75
LEU A  59
 None
None
None
B12  A 800 ( 4.2A)
 1.23A 5dzkh-1i9cA:
1.1
5dzkn-1i9cA:
1.1
5dzkv-1i9cA:
undetectable		 5dzkh-1i9cA:
20.10
5dzkn-1i9cA:
20.10
5dzkv-1i9cA:
2.27
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.
5DZK_X_BEZX801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		4 / 5 ILE A 158
GLY A 182
ILE A 169
LEU A 122
 None
B12  A 802 (-3.4A)
None
None
 0.86A 5dzki-5ul4A:
undetectable
5dzkj-5ul4A:
undetectable
5dzkx-5ul4A:
undetectable		 5dzki-5ul4A:
13.31
5dzkj-5ul4A:
13.31
5dzkx-5ul4A:
2.35
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.
5DZK_Z_BEZZ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		4 / 4 ILE A 158
GLY A 182
ILE A 169
LEU A 122
 None
B12  A 802 (-3.4A)
None
None
 0.86A 5dzkl-5ul4A:
undetectable
5dzkz-5ul4A:
undetectable		 5dzkl-5ul4A:
13.31
5dzkz-5ul4A:
2.35
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.
5E26_B_PAUB601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		4 / 7 ALA B  76
GLY B  66
SER B  64
GLY B  63
 None
None
FES  B1240 ( 4.9A)
FES  B1240 (-4.0A)
 0.88A 5e26A-1qlbB:
undetectable
5e26B-1qlbB:
undetectable		 5e26A-1qlbB:
22.95
5e26B-1qlbB:
22.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EML_A_SAMA701_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
5)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT V,
CHLOROPLASTIC
(Pisum
sativum;
Pisum
sativum) 		4 / 6 TYR B 323
GLY G  98
GLU G  93
ASP G 102
 CLA  B1221 (-4.0A)
None
None
None
 1.24A 5emlA-4rkuB:
undetectable		 5emlA-4rkuB:
22.39
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.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 2bb6 TRANSCOBALAMIN II
(Bos
taurus) 		4 / 4 LEU A 278
TYR A 229
PRO A 271
ILE A  36
 None
B12  A   0 ( 3.4A)
None
None
 1.17A 5esgA-2bb6A:
undetectable		 5esgA-2bb6A:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESG_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3kq4 GASTRIC INTRINSIC
FACTOR
(Homo
sapiens) 		4 / 4 LEU A 272
TYR A 224
PRO A 265
ILE A  57
 None
B12  A2007 (-3.5A)
None
None
 1.28A 5esgA-3kq4A:
undetectable		 5esgA-3kq4A:
23.04
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.
5EWU_A_BEZA1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 6 GLY A 702
THR A 703
SER A 667
HIS A 618
 B12  A1801 (-3.1A)
B12  A1801 (-3.2A)
B12  A1801 (-2.5A)
B12  A1801 (-3.7A)
 0.89A 5ewuA-3koyA:
undetectable		 5ewuA-3koyA:
20.91
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.
5EWU_B_BEZB1401_0
(MAGNESIUM-CHELATASE
SUBUNIT CHLH,
CHLOROPLASTIC)		 3koy D-ORNITHINE
AMINOMUTASE E
COMPONENT
(Acetoanaerobium
sticklandii) 		4 / 6 GLY A 702
THR A 703
SER A 667
HIS A 618
 B12  A1801 (-3.1A)
B12  A1801 (-3.2A)
B12  A1801 (-2.5A)
B12  A1801 (-3.7A)
 0.94A 5ewuB-3koyA:
undetectable		 5ewuB-3koyA:
20.91
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 468
ILE A 221
ASN A 189
ARG A 228
LEU A 650
 None
None
None
B12  A 800 (-3.8A)
None
 1.08A 5fa8A-2xijA:
2.3		 5fa8A-2xijA:
11.26
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.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4bnd ALPHA-PHOSPHOGLUCOMU
TASE
(Lactococcus
lactis) 		5 / 12 GLN B  74
SER B 130
ARG B 128
ILE B  50
TYR B  76
 None
None
GOL  B1256 (-3.5A)
None
None
 1.25A 5fepA-4bndB:
undetectable		 5fepA-4bndB:
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.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 4bnd ALPHA-PHOSPHOGLUCOMU
TASE
(Lactococcus
lactis) 		5 / 12 GLN B  74
SER B 130
ARG B 128
ILE B  50
TYR B  76
 None
None
GOL  B1256 (-3.5A)
None
None
 1.25A 5fesA-4bndB:
undetectable		 5fesA-4bndB:
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		 5c8a LIGHT-DEPENDENT
TRANSCRIPTIONAL
REGULATOR CARH
(Thermus
thermophilus) 		5 / 12 LEU A 152
LEU A 124
LEU A 121
GLY A  84
LEU A  87
 None
B12  A 300 (-4.1A)
B12  A 300 (-4.3A)
None
None
 1.07A 5gtrA-5c8aA:
undetectable		 5gtrA-5c8aA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		 5t8y EPOXYQUEUOSINE
REDUCTASE
(Bacillus
subtilis) 		4 / 4 CYH A 156
LEU A 209
LEU A 203
ALA A 202
 B12  A 503 ( 4.5A)
B12  A 503 ( 3.9A)
SF4  A 502 ( 4.6A)
SF4  A 502 ( 3.9A)
 1.03A 5hpuA-5t8yA:
undetectable
5hpuB-5t8yA:
undetectable		 5hpuA-5t8yA:
3.62
5hpuB-5t8yA:
4.83
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.
5HWA_A_GCSA303_1
(CHITOSANASE)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
ALPHA
(Methanothermobac
ter
marburgensis) 		4 / 5 HIS A 150
VAL A 141
GLY A 146
ALA A 145
 SF4  B1274 ( 4.4A)
None
None
None
 0.95A 5hwaA-4ci0A:
1.7		 5hwaA-4ci0A:
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		 2v55 RHO-RELATED
GTP-BINDING PROTEIN
RHOE
(Homo
sapiens) 		5 / 11 SER B  79
GLY B  30
VAL B  29
SER B  32
ASP B  31
 GTP  B1201 ( 4.7A)
None
None
GTP  B1201 (-3.3A)
None
 1.01A 5i3cC-2v55B:
2.9		 5i3cC-2v55B:
19.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_2
(CDL2.3B)		 4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
GAMMA
(Methanothermobac
ter
marburgensis) 		5 / 9 ILE B 178
PRO B 175
VAL B 257
ILE B 254
LEU B 100
 None
None
None
SF4  B1275 ( 4.6A)
None
 1.46A 5iepA-4ci0B:
undetectable		 5iepA-4ci0B:
19.93
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		3 / 3 VAL A 769
SER A 955
MET A1087
 None
B12  A1248 ( 4.5A)
None
 0.93A 5ikqA-1k7yA:
0.0		 5ikqA-1k7yA:
21.05
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		3 / 3 VAL B 588
SER B 344
MET B 350
 None
CLA  B1222 (-3.3A)
None
 0.80A 5ikqA-6fosB:
0.0		 5ikqA-6fosB:
9.86
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.
5J4N_B_AG2B501_1
(ARGININE/AGMATINE
ANTIPORTER)		 4bfi OX-2 MEMBRANE
GLYCOPROTEIN
(Mus
musculus) 		4 / 6 ILE B 168
GLY B 144
ILE B 128
TRP B 142
 NAG  B1270 ( 4.9A)
None
None
None
 0.87A 5j4nB-4bfiB:
undetectable		 5j4nB-4bfiB:
16.81
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.
5KBW_B_RBFB201_1
(RIBOFLAVIN
TRANSPORTER RIBU)		 4bnd ALPHA-PHOSPHOGLUCOMU
TASE
(Lactococcus
lactis) 		5 / 12 LEU B  13
ASP B 220
GLY B 211
ASN B  11
ALA B 240
 None
None
None
None
GOL  B1253 ( 2.6A)
 1.36A 5kbwB-4bndB:
undetectable		 5kbwB-4bndB:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5L8R_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 TRP B  22
MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.49A 5l8rB-4rkuB:
44.6		 5l8rB-4rkuB:
97.54
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.
5M50_B_TA1B502_1
(TUBULIN BETA-2B
CHAIN)		 1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii) 		5 / 12 VAL B 135
ASP B 138
THR A  35
ARG A 184
GLY A 264
 B12  B 800 (-3.7A)
None
None
PLP  B 801 (-2.9A)
None
 1.17A 5m50B-1xrsB:
4.8		 5m50B-1xrsB:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M50_E_TA1E502_1
(TUBULIN BETA-2B
CHAIN)		 1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT
D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT
(Acetoanaerobium
sticklandii) 		5 / 12 VAL B 135
ASP B 138
THR A  35
ARG A 184
GLY A 264
 B12  B 800 (-3.7A)
None
None
PLP  B 801 (-2.9A)
None
 1.24A 5m50E-1xrsB:
4.9		 5m50E-1xrsB:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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.
5N0X_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A 221
GLY A 190
HIS A 143
VAL A 195
TYR A 287
 None
None
B12  A 800 (-4.2A)
None
None
 1.27A 5n0xB-2xijA:
2.7		 5n0xB-2xijA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NU7_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 4)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		4 / 8 LEU A 831
ALA A 793
VAL A 866
MET A 821
 B12  A1248 (-4.3A)
None
None
None
 1.02A 5nu7A-1k7yA:
undetectable		 5nu7A-1k7yA:
16.94
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.
5OV9_B_CVIB602_0
(ACETYLCHOLINESTERASE)		 3cpj GTP-BINDING PROTEIN
YPT31/YPT8
(Saccharomyces
cerevisiae) 		4 / 8 ASP B  68
LEU B  18
THR B  69
VAL B  24
 MG  B1208 ( 4.2A)
None
None
GDP  B1207 ( 4.3A)
 1.27A 5ov9B-3cpjB:
undetectable		 5ov9B-3cpjB:
17.45
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.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		12 / 12 TRP B  22
ILE B  25
MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B1201 ( 4.7A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.42A 5oy02-4rkuB:
43.3		 5oy02-4rkuB:
11.41
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		11 / 12 TRP B  22
ILE B  25
MET B 660
PHE B 661
SER B 664
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
CLA  B1201 ( 4.6A)
PQN  B2002 ( 3.2A)
PQN  B2002 ( 4.3A)
CLA  B1023 (-4.5A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.74A 5oy02-6fosB:
32.6		 5oy02-6fosB:
85.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5OY0_2_PQN2843_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		10 / 12 TRP B  22
ILE B  25
PHE B 661
TRP B 665
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
CLA  B1201 ( 4.6A)
PQN  B2002 ( 4.3A)
None
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 1.04A 5oy02-6fosB:
32.6		 5oy02-6fosB:
85.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_B_PQNB1844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		10 / 10 MET B 662
PHE B 663
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.45A 5oy0b-4rkuB:
43.5		 5oy0b-4rkuB:
10.22
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.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		5 / 10 ILE A  43
ILE A  81
GLY A 113
LEU A  60
VAL A  69
 None
None
B12  A1101 ( 4.8A)
None
None
 1.08A 5twjB-5cjuA:
undetectable		 5twjB-5cjuA:
9.87
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.
5UBB_A_SAMA301_1
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 5 GLY A 475
ARG A 473
ASP A 476
GLN A 658
 B12  A 803 ( 4.3A)
None
B12  A 803 (-3.3A)
None
 1.11A 5ubbA-4rasA:
undetectable		 5ubbA-4rasA:
15.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		12 / 12 PHE A 320
ALA A 397
ARG A 399
PHE A 432
GLY A 434
GLU A 436
LYS A 448
GLY A 472
ILE A 474
MET A 544
GLU A 545
LEU A 547
 SAM  A 803 (-4.5A)
SAM  A 803 (-3.4A)
None
SAM  A 803 (-3.6A)
SAM  A 803 (-3.2A)
SAM  A 803 (-2.5A)
SAM  A 803 (-3.3A)
SAM  A 803 (-3.2A)
SAM  A 803 (-4.2A)
SAM  A 803 (-3.7A)
B12  A 802 (-4.4A)
SAM  A 803 ( 4.4A)
 0.00A 5ul4A-5ul4A:
62.3		 5ul4A-5ul4A:
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.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.37A 5v37A-4rkuB:
undetectable		 5v37A-4rkuB:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VOO_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 5 ASN A  44
ASP A  40
ASN A 743
ASP A 739
 None
B12  A1101 (-3.5A)
B12  A1101 ( 4.6A)
None
 1.25A 5vooA-5cjuA:
3.1		 5vooA-5cjuA:
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.
5VOO_C_C2FC702_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 5 ASN A  44
ASP A  40
ASN A 743
ASP A 739
 None
B12  A1101 (-3.5A)
B12  A1101 ( 4.6A)
None
 1.27A 5vooC-5cjuA:
3.2		 5vooC-5cjuA:
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.
5VOO_E_C2FE3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 5cju ISOBUTYRYL-COA
MUTASE FUSED
(Cupriavidus
metallidurans) 		4 / 5 ASN A  44
ASP A  40
ASN A 743
ASP A 739
 None
B12  A1101 (-3.5A)
B12  A1101 ( 4.6A)
None
 1.19A 5vooE-5cjuA:
8.1		 5vooE-5cjuA:
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.
5WQP_A_NCAA302_0
(PROBABLE
DEHYDROGENASE)		 3d3w L-XYLULOSE REDUCTASE
(Homo
sapiens) 		5 / 8 SER B 136
GLN B 137
TYR B 149
TRP B 191
MET B 186
 NAP  B1245 ( 3.0A)
PO4  B 245 (-4.0A)
NAP  B1245 (-4.5A)
PO4  B 245 ( 4.3A)
NAP  B1245 ( 3.8A)
 1.29A 5wqpA-3d3wB:
22.5		 5wqpA-3d3wB:
27.91
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.21A 5x1fA-4rkuB:
undetectable
5x1fC-4rkuB:
3.0
5x1fP-4rkuB:
2.9		 5x1fA-4rkuB:
22.74
5x1fC-4rkuB:
16.14
5x1fP-4rkuB:
16.14
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.
5X7Z_A_BHAA201_0
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		 3d3w L-XYLULOSE REDUCTASE
(Homo
sapiens) 		4 / 6 LEU B  11
VAL B  37
LEU B  61
VAL B  57
 None
None
NAP  B1245 (-3.8A)
None
 0.94A 5x7zA-3d3wB:
undetectable		 5x7zA-3d3wB:
24.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XDQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5xdqC-4rkuB:
2.9
5xdqN-4rkuB:
undetectable
5xdqP-4rkuB:
2.9		 5xdqC-4rkuB:
16.14
5xdqN-4rkuB:
22.74
5xdqP-4rkuB:
16.14
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5xdxC-4rkuB:
3.1
5xdxN-4rkuB:
undetectable
5xdxP-4rkuB:
2.9		 5xdxC-4rkuB:
16.14
5xdxN-4rkuB:
22.74
5xdxP-4rkuB:
16.14
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.
5XXG_A_SAMA502_0
(SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
ASN B 502
HIS B 467
 None
None
None
None
CLA  B1231 (-3.9A)
 1.35A 5xxgA-4rkuB:
undetectable		 5xxgA-4rkuB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXG_A_SAMA502_0
(SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.37A 5xxgA-4rkuB:
undetectable		 5xxgA-4rkuB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXJ_A_SAMA505_0
(SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
ASN B 502
HIS B 467
 None
None
None
None
CLA  B1231 (-3.9A)
 1.36A 5xxjA-4rkuB:
undetectable		 5xxjA-4rkuB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5XXJ_A_SAMA505_0
(SMYD3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 12 GLY B 260
GLU B 503
ASN B 506
HIS B 467
PHE B 509
 None
None
None
CLA  B1231 (-3.9A)
CLA  B1223 (-4.4A)
 1.35A 5xxjA-4rkuB:
undetectable		 5xxjA-4rkuB:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YSI_A_NCAA1001_0
(UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA)		 1mmf GLYCEROL DEHYDRASE
BETA SUBUNIT
(Klebsiella
pneumoniae) 		4 / 6 GLY B  98
SER B 101
THR B 104
VAL B  80
 None
None
B12  B 601 (-3.0A)
None
 1.21A 5ysiA-1mmfB:
0.0		 5ysiA-1mmfB:
22.16
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.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.15A 5z84C-4rkuB:
2.9
5z84N-4rkuB:
undetectable
5z84P-4rkuB:
2.9		 5z84C-4rkuB:
16.14
5z84N-4rkuB:
22.74
5z84P-4rkuB:
16.14
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 0.97A 5z84P-4rasA:
undetectable
5z84W-4rasA:
undetectable		 5z84P-4rasA:
15.49
5z84W-4rasA:
5.54
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 1.00A 5z85P-4rasA:
undetectable
5z85W-4rasA:
undetectable		 5z85P-4rasA:
15.49
5z85W-4rasA:
5.54
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 1.01A 5z86C-4rasA:
undetectable
5z86J-4rasA:
undetectable		 5z86C-4rasA:
15.49
5z86J-4rasA:
5.54
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.
5Z86_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 8 LEU B 371
HIS B  89
TYR B 117
HIS B  67
 CLA  B1225 ( 4.4A)
CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
 1.16A 5z86C-4rkuB:
2.9
5z86N-4rkuB:
4.8
5z86P-4rkuB:
2.9		 5z86C-4rkuB:
16.14
5z86N-4rkuB:
22.74
5z86P-4rkuB:
16.14
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.
5Z86_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 0.97A 5z86P-4rasA:
undetectable
5z86W-4rasA:
undetectable		 5z86P-4rasA:
15.49
5z86W-4rasA:
5.54
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 0.96A 5zcoP-4rasA:
undetectable
5zcoW-4rasA:
undetectable		 5zcoP-4rasA:
15.49
5zcoW-4rasA:
5.54
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.
5ZCP_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		 4ras OXIDOREDUCTASE,
NAD-BINDING/IRON-SUL
FUR CLUSTER-BINDING
PROTEIN
(Nitratireductor
pacificus) 		4 / 6 ARG A 428
GLN A 403
PHE A  89
LEU A  90
 None
B12  A 803 (-3.7A)
None
None
 0.97A 5zcpP-4rasA:
undetectable
5zcpW-4rasA:
undetectable		 5zcpP-4rasA:
15.49
5zcpW-4rasA:
5.54
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.
5ZGB_B_PQNB844_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
ARG B 668
TRP B 671
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 1.13A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
5ZGB_B_PQNB844_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
TRP B 667
ARG B 668
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.57A 5zgbB-4rkuB:
44.1		 5zgbB-4rkuB:
9.29
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.
5ZGH_B_PQNB843_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		7 / 9 ILE B  21
TRP B  22
MET B 662
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 1.22A 5zghB-4rkuB:
41.1		 5zghB-4rkuB:
9.29
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.
5ZGH_B_PQNB843_1
(PSAB)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 9 ILE B  21
TRP B  22
MET B 662
TRP B 667
ARG B 668
ALA B 699
LEU B 700
ALA B 705
 CLA  A1131 ( 4.4A)
CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.61A 5zghB-4rkuB:
41.1		 5zghB-4rkuB:
9.29
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 8 HIS B 118
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 ZN  B1297 (-3.1A)
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 0.28A 5zj8A-2yntB:
15.8		 5zj8A-2yntB:
29.67
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.
5ZJ8_A_9DCA303_0
(METALLO-BETA-LACTAMA
SE TYPE 2)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		5 / 8 TRP B  87
ASP B 120
HIS B 196
CYH B 221
HIS B 263
 None
ZN  B1298 (-2.4A)
ZN  B1297 (-3.2A)
ZN  B1298 (-2.2A)
ZN  B1298 (-3.2A)
 1.00A 5zj8A-2yntB:
15.8		 5zj8A-2yntB:
29.67
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.
5ZJI_A_PQNA844_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		8 / 10 MET B 662
PHE B 663
SER B 666
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
 CLA  B9023 ( 3.3A)
PQN  B5002 ( 4.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.51A 5zjiA-4rkuB:
35.3
5zjiJ-4rkuB:
undetectable		 5zjiA-4rkuB:
6.88
5zjiJ-4rkuB:
5.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		10 / 10 TRP B  22
ILE B  25
MET B 662
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B1238 ( 4.0A)
CLA  B1201 ( 4.7A)
CLA  B9023 ( 3.3A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.56A 5zjiB-4rkuB:
46.0		 5zjiB-4rkuB:
94.87
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		8 / 10 ILE B  25
MET B 660
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 CLA  B1201 ( 4.6A)
PQN  B2002 ( 3.2A)
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.68A 5zjiB-6fosB:
32.7		 5zjiB-6fosB:
83.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ZJI_B_PQNB842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		9 / 10 TRP B  22
ILE B  25
TRP B 665
ARG B 666
TRP B 669
ILE B 673
ALA B 697
LEU B 698
ALA B 703
 None
CLA  B1201 ( 4.6A)
None
None
PQN  B2002 (-3.3A)
None
PQN  B2002 (-3.1A)
PQN  B2002 (-3.6A)
PQN  B2002 (-3.4A)
 0.94A 5zjiB-6fosB:
32.7		 5zjiB-6fosB:
83.56
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.
6BEC_C_RBTC601_1
(SCAFFOLD PROTEIN D13)		 4qiw DNA-DIRECTED RNA
POLYMERASE
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
A''
(Thermococcus
kodakarensis) 		5 / 12 VAL C 333
GLU A  20
PRO B1084
VAL B1062
PHE A  13
 None
None
ZN  B1201 ( 4.0A)
None
None
 1.10A 6becA-4qiwC:
undetectable
6becB-4qiwC:
undetectable
6becC-4qiwC:
undetectable		 6becA-4qiwC:
20.54
6becB-4qiwC:
20.54
6becC-4qiwC:
20.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		11 / 11 ASP A 946
PRO A 949
ARG A1094
GLU A1097
ARG A1134
PRO A1135
ALA A1136
TYR A1139
PRO A1140
ALA A1141
TYR A1189
 None
None
B12  A1248 ( 4.9A)
B12  A1248 ( 4.8A)
None
None
B12  A1248 (-3.6A)
B12  A1248 ( 3.8A)
B12  A1248 ( 4.6A)
None
None
 0.84A 6bm5A-1k7yA:
48.9		 6bm5A-1k7yA:
99.70
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6BM5_A_SAMA1301_0
(METHIONINE SYNTHASE)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		6 / 11 ASP A 946
PRO A 949
ARG A1094
TYR A1139
PRO A1140
ALA A1191
 None
None
B12  A1248 ( 4.9A)
B12  A1248 ( 3.8A)
B12  A1248 ( 4.6A)
None
 1.37A 6bm5A-1k7yA:
48.9		 6bm5A-1k7yA:
99.70
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.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 1qlb FUMARATE REDUCTASE
IRON-SULFUR PROTEIN
(Wolinella
succinogenes) 		3 / 3 ILE B 152
ASN B 177
CYH B 214
 SF4  B1242 (-4.7A)
None
F3S  B1241 (-2.1A)
 0.84A 6bp4A-1qlbB:
undetectable		 6bp4A-1qlbB:
23.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		3 / 3 ILE B 216
ASN B  70
CYH B 221
 None
None
ZN  B1298 (-2.2A)
 0.88A 6bp4A-2yntB:
undetectable		 6bp4A-2yntB:
24.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BP4_A_SAMA505_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		 4c1n IRON-SULFUR CLUSTER
BINDING PROTEIN
(Carboxydothermus
hydrogenoformans) 		3 / 3 ILE I 313
ASN I 381
CYH I 395
 None
B12  I1631 (-3.9A)
None
 0.80A 6bp4A-4c1nI:
undetectable		 6bp4A-4c1nI:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BSG_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		 1k7y METHIONINE SYNTHASE
(Escherichia
coli) 		5 / 10 LEU A 831
VAL A 766
TYR A 775
GLY A 767
LEU A 800
 B12  A1248 (-4.3A)
B12  A1248 (-4.4A)
None
None
None
 1.35A 6bsgA-1k7yA:
1.4		 6bsgA-1k7yA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CE2_B_SVRB202_2
(-)		 5ul4 OXSB PROTEIN
(Bacillus
megaterium) 		5 / 12 LEU A 147
LEU A 152
GLY A 241
ASN A  58
LYS A 149
 None
None
B12  A 802 (-3.5A)
None
None
 0.98A 6ce2B-5ul4A:
undetectable		 6ce2B-5ul4A:
10.44
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.
6DWJ_B_GLYB710_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		 1e1c METHYLMALONYL-COA
MUTASE ALPHA CHAIN
(Propionibacteriu
m
freudenreichii) 		4 / 5 ARG A 123
ARG A 207
GLY A 169
ASN A 168
 None
B12  A 800 (-3.9A)
None
None
 1.19A 6dwjB-1e1cA:
0.0
6dwjD-1e1cA:
0.0		 6dwjB-1e1cA:
23.78
6dwjD-1e1cA:
23.78
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.
6F6I_A_8PRA509_1
(ENVELOPE
GLYCOPROTEIN,GP,GP1
ENVELOPE
GLYCOPROTEIN)		 5d6s EPOXYQUEUOSINE
REDUCTASE
(Streptococcus
thermophilus) 		5 / 12 GLU A 179
ALA A 143
GLY A  20
THR A  22
LEU A 165
 None
None
None
None
B12  A 403 (-4.4A)
 0.92A 6f6iA-5d6sA:
undetectable
6f6iB-5d6sA:
undetectable		 6f6iA-5d6sA:
10.51
6f6iB-5d6sA:
11.60
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.
6FOS_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		5 / 6 TRP B  22
MET B 662
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.51A 6fosA-4rkuB:
32.7		 6fosA-4rkuB:
7.23
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.
6G9B_B_IXXB705_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN
ENVELOPE
GLYCOPROTEIN)		 4bnd ALPHA-PHOSPHOGLUCOMU
TASE
(Lactococcus
lactis) 		4 / 5 ARG B 128
ALA B  70
GLN B  51
ILE B   9
 GOL  B1256 (-3.5A)
None
None
None
 1.21A 6g9bA-4bndB:
undetectable
6g9bB-4bndB:
undetectable		 6g9bA-4bndB:
15.98
6g9bB-4bndB:
14.23
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.
6HQB_A_PQNA2001_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		7 / 10 TRP B  22
MET B 662
SER B 666
ARG B 668
TRP B 671
ALA B 699
LEU B 700
 CLA  B1238 ( 4.0A)
CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
PQN  B5002 ( 3.3A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
 0.63A 6hqbA-4rkuB:
34.8
6hqbJ-4rkuB:
undetectable		 6hqbA-4rkuB:
7.02
6hqbJ-4rkuB:
4.68
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.
6HQB_B_PQNB2002_0
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		9 / 9 MET B 662
SER B 666
TRP B 667
ARG B 668
TRP B 671
ILE B 675
ALA B 699
LEU B 700
ALA B 705
 CLA  B9023 ( 3.3A)
PQN  B5002 (-3.2A)
None
None
PQN  B5002 ( 3.3A)
CLA  B1238 (-3.9A)
PQN  B5002 (-3.2A)
PQN  B5002 (-3.7A)
PQN  B5002 (-3.4A)
 0.33A 6hqbB-4rkuB:
42.5		 6hqbB-4rkuB:
11.41
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.
6HU9_S_PCFS603_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 8
CYTOCHROME C OXIDASE
POLYPEPTIDE 5A,
MITOCHONDRIAL)		 6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Cyanidioschyzon
merolae) 		4 / 7 GLY B 658
PHE B 711
HIS B 710
VAL B 713
 None
None
CLA  B1239 (-4.1A)
None
 0.98A 6hu9S-6fosB:
undetectable
6hu9q-6fosB:
undetectable		 6hu9S-6fosB:
undetectable
6hu9q-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.
6MN4_E_AM2E301_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE, AAC(3)-IVA)		 2ynt GIM-1 PROTEIN
(Pseudomonas
aeruginosa) 		4 / 7 THR B 136
ARG B 121
HIS B 196
ASP B  84
 None
ZN  B1298 ( 4.5A)
ZN  B1297 (-3.2A)
None
 1.25A 6mn4E-2yntB:
undetectable		 6mn4E-2yntB:
25.26
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2
(Pisum
sativum) 		4 / 7 HIS B  89
TYR B 117
HIS B  67
LEU B 371
 CLA  B1205 ( 3.9A)
None
CLA  B1204 (-4.1A)
CLA  B1225 ( 4.4A)
 1.18A 6nmfA-4rkuB:
1.3
6nmfC-4rkuB:
2.8
6nmfP-4rkuB:
2.8		 6nmfA-4rkuB:
22.74
6nmfC-4rkuB:
16.14
6nmfP-4rkuB:
16.14