SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'COA'


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.
13GS_A_SASA211_1
(GLUTATHIONE
S-TRANSFERASE)		 4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
(Burkholderia
pseudomallei) 		5 / 10 PRO A  67
VAL A  68
VAL A  95
ILE A  49
GLY A  12
 None
COA  A 320 (-3.9A)
None
None
None
 1.35A 13gsA-4bqnA:
undetectable		 13gsA-4bqnA:
23.03
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.
13GS_B_SASB211_1
(GLUTATHIONE
S-TRANSFERASE)		 4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
(Burkholderia
pseudomallei) 		5 / 9 PRO A  67
VAL A  68
VAL A  95
ILE A  49
GLY A  12
 None
COA  A 320 (-3.9A)
None
None
None
 1.35A 13gsB-4bqnA:
undetectable		 13gsB-4bqnA:
23.03
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.
1A29_A_TFPA154_1
(CALMODULIN)		 2hqy CONSERVED
HYPOTHETICAL PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 10 GLU A 236
ALA A 219
LEU A 171
LEU A 194
GLU A 190
 None
None
None
None
COA  A1001 (-3.2A)
 1.37A 1a29A-2hqyA:
undetectable		 1a29A-2hqyA:
20.95
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.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 4 HIS A 159
LEU A 355
LEU A  61
LEU A 128
 COA  A1001 (-4.5A)
CSO  A  92 ( 4.6A)
None
None
 1.18A 1a4lD-1wl4A:
undetectable		 1a4lD-1wl4A:
21.16
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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 HIS A 244
TRP A 310
LEU A 189
GLY A 306
VAL A 212
 COA  A1350 (-4.4A)
None
COA  A1350 ( 4.8A)
None
None
 1.44A 1axwB-1eblA:
undetectable		 1axwB-1eblA:
21.80
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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		 1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)
(Serratia
marcescens) 		5 / 11 ALA A 136
ILE A  77
LEU A 111
LEU A 129
ALA A  81
 None
None
COA  A 300 ( 3.9A)
None
None
 1.11A 1b02A-1bo4A:
0.0		 1b02A-1bo4A:
20.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		 3ld2 PUTATIVE
ACETYLTRANSFERASE
(Streptococcus
mutans) 		5 / 12 GLY A  93
ILE A  99
ALA A  52
GLY A  60
ILE A   3
 COA  A 164 (-3.3A)
None
None
None
None
 0.92A 1bx4A-3ld2A:
undetectable		 1bx4A-3ld2A:
19.77
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.
1CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		 5hmn AAC3-I
(uncultured
bacterium) 		5 / 10 THR A  22
PHE A  23
ALA A  26
LEU A 102
ILE A  98
 None
None
COA  A 201 ( 4.6A)
None
COA  A 201 (-4.3A)
 1.32A 1claA-5hmnA:
undetectable		 1claA-5hmnA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1D4F_D_ADND604_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		 3ld2 PUTATIVE
ACETYLTRANSFERASE
(Streptococcus
mutans) 		5 / 12 LEU A 101
LEU A  50
LEU A  62
GLY A  80
PHE A 131
 None
None
None
COA  A 164 ( 4.4A)
None
 1.40A 1d4fD-3ld2A:
undetectable		 1d4fD-3ld2A:
17.93
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.
1D4S_A_TPVA201_2
(PROTEIN (HIV-1
PROTEASE))		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 8 ALA A 323
GLY A 385
ILE A 384
VAL A 327
 COA  A1001 ( 3.8A)
CSO  A  92 ( 4.1A)
CSO  A  92 ( 4.7A)
None
 0.79A 1d4sB-1wl4A:
undetectable		 1d4sB-1wl4A:
16.18
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.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		4 / 5 PHE A 146
TYR A 147
LEU A  73
VAL A  78
 COA  A 601 (-3.7A)
None
None
COA  A 601 (-4.1A)
 1.23A 1dz6A-1n71A:
0.0		 1dz6A-1n71A:
17.60
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.
1EKJ_G_ACTG3009_0
(BETA-CARBONIC
ANHYDRASE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 5 GLY A 250
LEU A 253
THR A 254
VAL A 240
 COA  A1314 (-3.3A)
None
None
COA  A1314 (-4.0A)
 0.93A 1ekjF-2c27A:
undetectable
1ekjG-2c27A:
undetectable		 1ekjF-2c27A:
22.86
1ekjG-2c27A:
22.86
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.
1EKJ_H_ACTH3006_0
(BETA-CARBONIC
ANHYDRASE)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		4 / 6 GLN A 130
ASP A 122
VAL A  71
HIS A 107
 None
None
None
COA  A 401 (-4.5A)
 1.35A 1ekjG-2pfrA:
undetectable
1ekjH-2pfrA:
undetectable		 1ekjG-2pfrA:
23.63
1ekjH-2pfrA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		4 / 6 LEU A 142
MET A 207
LEU A 189
HIS A 244
 None
COA  A1350 (-2.9A)
COA  A1350 ( 4.8A)
COA  A1350 (-4.4A)
 1.12A 1errB-1eblA:
0.0		 1errB-1eblA:
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.
1FIQ_C_SALC1335_1
(XANTHINE OXIDASE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 297
VAL A 235
LEU A 238
ALA A 290
 None
None
COA  A1314 (-4.5A)
COA  A1314 (-3.6A)
 0.95A 1fiqC-2c27A:
undetectable		 1fiqC-2c27A:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50B-4b3iA:
undetectable		 1g50B-4b3iA:
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 11 LEU A 307
LEU A 144
ARG A 175
ILE A 667
GLY A 677
 None
COA  A1730 ( 4.8A)
COA  A1730 (-3.9A)
None
None
 1.21A 1g50C-4b3iA:
undetectable		 1g50C-4b3iA:
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE
(Shewanella
loihica) 		5 / 10 ALA A  20
LEU A 110
SER A 112
ALA A  14
ILE A  29
 None
None
FAD  A 900 (-2.9A)
COA  A 901 (-3.3A)
None
 1.27A 1g5yC-3ntdA:
undetectable		 1g5yC-3ntdA:
17.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GSF_C_EAAC223_1
(GLUTATHIONE
TRANSFERASE A1-1)		 2gq3 MALATE SYNTHASE G
(Mycobacterium
tuberculosis) 		4 / 8 TYR A 608
GLY A 618
ARG A 634
VAL A 118
 None
None
None
COA  A 800 (-3.9A)
 0.93A 1gsfC-2gq3A:
2.1		 1gsfC-2gq3A:
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.
1GTN_F_TRPF81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE
(Acetobacter
aceti) 		4 / 8 SER A 395
GLY A 388
HIS A 113
ALA A 393
 None
COA  A2598 ( 4.4A)
None
None
 0.81A 1gtnE-4eudA:
undetectable
1gtnF-4eudA:
undetectable		 1gtnE-4eudA:
9.56
1gtnF-4eudA:
9.56
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.
1GTN_V_TRPV81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		 2vhe ACETYLTRANSFERASE
(Campylobacter
jejuni) 		5 / 12 GLY A 172
SER A 157
ALA A 139
HIS A 134
ILE A 129
 COA  A 300 (-3.5A)
None
None
None
None
 0.97A 1gtnL-2vheA:
undetectable
1gtnV-2vheA:
undetectable		 1gtnL-2vheA:
15.62
1gtnV-2vheA:
15.62
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.
1HK1_A_T44A3003_1
(SERUM ALBUMIN)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		4 / 6 ILE A 307
LYS A 256
ALA A 250
VAL A 298
 COA  A3000 (-4.4A)
COA  A3000 (-2.8A)
None
None
 0.93A 1hk1A-1aj8A:
1.6		 1hk1A-1aj8A:
20.70
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		 1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP
(Bacillus
subtilis) 		4 / 7 VAL A  95
ASN A  87
ASP A 107
LYS A 155
 None
COA  A 300 (-3.4A)
MG  A 400 ( 2.8A)
COA  A 300 (-2.8A)
 1.32A 1hwiC-1qr0A:
undetectable		 1hwiC-1qr0A:
18.22
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.
1HWI_D_115D3_2
(HMG-COA REDUCTASE)		 1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP
(Bacillus
subtilis) 		4 / 7 VAL A  95
ASN A  87
ASP A 107
LYS A 155
 None
COA  A 300 (-3.4A)
MG  A 400 ( 2.8A)
COA  A 300 (-2.8A)
 1.33A 1hwiD-1qr0A:
undetectable		 1hwiD-1qr0A:
18.22
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.
1HXB_A_ROCA100_1
(HIV-1 PROTEASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 GLY A  72
VAL A  28
GLY A  60
GLY A 100
ILE A  29
 None
None
COA  A 760 ( 4.0A)
GOL  A 770 ( 4.3A)
None
 0.69A 1hxbA-2x58A:
undetectable		 1hxbA-2x58A:
8.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		 1yvk HYPOTHETICAL PROTEIN
BSU33890
(Bacillus
subtilis) 		5 / 12 LEU A  21
LEU A  18
CYH A  41
VAL A  71
LEU A   6
 None
None
None
COA  A 201 (-4.6A)
None
 1.38A 1ie9A-1yvkA:
undetectable		 1ie9A-1yvkA:
22.91
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.
1JGS_A_SALA256_1
(MULTIPLE ANTIBIOTIC
RESISTANCE PROTEIN
MARR)		 4ag9 GLUCOSAMINE-6-PHOSPH
ATE
N-ACETYLTRANSFERASE
(Caenorhabditis
elegans) 		4 / 7 VAL A  81
LEU A  39
LEU A 117
VAL A  24
 None
None
COA  A1166 (-4.9A)
None
 0.93A 1jgsA-4ag9A:
undetectable		 1jgsA-4ag9A:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C
(Schizosaccharomy
ces
pombe) 		4 / 7 SER A  67
ASP A 192
GLU A 119
GLU A  79
 None
None
COA  A 301 ( 4.7A)
None
 1.07A 1knyA-4ua3A:
undetectable
1knyB-4ua3A:
undetectable		 1knyA-4ua3A:
22.93
1knyB-4ua3A:
22.93
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		 4ua3 UNCHARACTERIZED
N-ACETYLTRANSFERASE
C825.04C
(Schizosaccharomy
ces
pombe) 		4 / 8 GLU A  79
SER A  67
ASP A 192
GLU A 119
 None
None
None
COA  A 301 ( 4.7A)
 1.00A 1knyA-4ua3A:
undetectable
1knyB-4ua3A:
undetectable		 1knyA-4ua3A:
22.93
1knyB-4ua3A:
22.93
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.
1LHU_A_ESTA301_1
(SEX HORMONE-BINDING
GLOBULIN)		 5wx3 ALKYLDIKETIDE-COA
SYNTHASE
(Tetradium
ruticarpum) 		5 / 12 GLY A 368
PHE A 367
SER A 335
ILE A 248
LEU A 261
 None
None
None
COA  A 401 ( 4.9A)
COA  A 401 (-3.8A)
 1.30A 1lhuA-5wx3A:
undetectable		 1lhuA-5wx3A:
18.18
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		9 / 10 PHE A  32
ASP A  35
ASP A  40
GLU A  82
SER A 117
ALA A 120
ASP A 152
THR A 155
ASP A 179
 COA  A 600 ( 3.7A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
KAN  A 500 ( 4.3A)
 0.50A 1m4dA-1m4iA:
35.1		 1m4dA-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4D_A_TOYA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		5 / 10 SER A 117
SER A 119
ALA A 120
ASP A 152
THR A 155
 KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 0.56A 1m4dA-1m4iA:
35.1		 1m4dA-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4D_B_TOYB501_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		6 / 9 GLU A  82
SER A 117
SER A 119
ALA A 120
ASP A 152
THR A 155
 KAN  A 500 (-3.8A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 ( 4.8A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 0.60A 1m4dB-1m4iA:
33.0		 1m4dB-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4G_A_RIOA500_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		8 / 9 ASP A  35
ASP A  40
GLU A  82
GLY A  83
SER A 117
SER A 119
ASP A 152
ASP A 179
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.7A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.3A)
 0.69A 1m4gA-1m4iA:
34.5		 1m4gA-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		9 / 9 ASP A  35
ASP A  40
GLU A  82
GLY A  83
SER A 117
SER A 119
ASP A 152
THR A 155
ASP A 179
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
KAN  A 500 (-3.8A)
KAN  A 500 (-3.7A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
KAN  A 500 ( 4.3A)
 0.70A 1m4gB-1m4iA:
32.7		 1m4gB-1m4iA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1M4G_B_RIOB501_0
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		5 / 9 ASP A  35
SER A 117
SER A 119
ASP A 152
THR A 155
 KAN  A 500 (-3.4A)
KAN  A 500 (-3.4A)
COA  A 600 ( 4.0A)
KAN  A 500 (-3.4A)
KAN  A 500 ( 4.7A)
 1.01A 1m4gB-1m4iA:
32.7		 1m4gB-1m4iA:
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.
1MJ2_C_SAMC1200_1
(PROTEIN (METHIONINE
REPRESSOR))		 2cg5 L-AMINOADIPATE-SEMIA
LDEHYDE
DEHYDROGENASE-PHOSPH
OPANTETHEINYL
TRANSFERASE
(Homo
sapiens) 		4 / 4 HIS A 121
ALA A  69
PHE A  31
GLY A  73
 COA  A1300 (-3.6A)
None
None
None
 1.16A 1mj2D-2cg5A:
undetectable		 1mj2D-2cg5A:
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.
1MJO_A_SAMA199_1
(METHIONINE REPRESSOR)		 2cg5 L-AMINOADIPATE-SEMIA
LDEHYDE
DEHYDROGENASE-PHOSPH
OPANTETHEINYL
TRANSFERASE
(Homo
sapiens) 		4 / 4 HIS A 121
ALA A  69
PHE A  31
GLY A  73
 COA  A1300 (-3.6A)
None
None
None
 1.12A 1mjoB-2cg5A:
undetectable		 1mjoB-2cg5A:
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.
1MJO_B_SAMB200_0
(METHIONINE REPRESSOR)		 2cg5 L-AMINOADIPATE-SEMIA
LDEHYDE
DEHYDROGENASE-PHOSPH
OPANTETHEINYL
TRANSFERASE
(Homo
sapiens) 		4 / 4 HIS A 121
ALA A  69
PHE A  31
GLY A  73
 COA  A1300 (-3.6A)
None
None
None
 1.14A 1mjoA-2cg5A:
undetectable		 1mjoA-2cg5A:
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.
1MJO_D_SAMD200_1
(METHIONINE REPRESSOR)		 2cg5 L-AMINOADIPATE-SEMIA
LDEHYDE
DEHYDROGENASE-PHOSPH
OPANTETHEINYL
TRANSFERASE
(Homo
sapiens) 		4 / 4 HIS A 121
ALA A  69
PHE A  31
GLY A  73
 COA  A1300 (-3.6A)
None
None
None
 1.14A 1mjoD-2cg5A:
undetectable		 1mjoD-2cg5A:
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.
1MMT_A_H4BA1426_1
(PHENYLALANINE-4-HYDR
OXYLASE)		 3f8k PROTEIN
ACETYLTRANSFERASE
(Sulfolobus
solfataricus) 		5 / 11 LEU A  71
SER A  78
PHE A  77
LEU A  79
THR A 109
 None
COA  A 301 (-3.4A)
None
COA  A 301 (-4.4A)
None
 1.32A 1mmtA-3f8kA:
undetectable		 1mmtA-3f8kA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		5 / 12 GLY A  80
VAL A  76
ILE A  97
LEU A  96
PHE A 132
 COA  A 600 ( 3.8A)
None
None
None
None
 0.97A 1mx1D-1s5kA:
undetectable		 1mx1D-1s5kA:
12.71
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.
1N49_B_RITB301_1
(PROTEASE)		 1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)
(Serratia
marcescens) 		4 / 7 GLY A  25
ILE A  26
ALA A 125
ILE A 122
 None
None
None
COA  A 300 ( 4.1A)
 0.73A 1n49A-1bo4A:
undetectable		 1n49A-1bo4A:
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 ARG A 127
LEU A 114
ALA A 113
LEU A 122
LEU A  95
 None
COA  A1730 ( 4.4A)
None
None
None
 1.24A 1og5A-4b3iA:
undetectable		 1og5A-4b3iA:
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		 5zai -
(-) 		5 / 12 ARG A 121
ILE A 103
LEU A 108
ALA A 107
LEU A 116
 None
None
COA  A 301 (-4.7A)
None
None
 1.22A 1og5B-5zaiA:
undetectable		 1og5B-5zaiA:
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.
1P6K_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 5 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.28A 1p6kB-5xxsA:
undetectable		 1p6kB-5xxsA:
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.
1Q23_A_FUAA702_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		5 / 12 THR A 278
SER A 275
LEU A 189
VAL A 211
ALA A 215
 None
SCY  A 112 ( 3.3A)
COA  A 401 (-4.2A)
COA  A 401 (-3.9A)
None
 1.34A 1q23A-4nhdA:
undetectable
1q23B-4nhdA:
undetectable		 1q23A-4nhdA:
21.97
1q23B-4nhdA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Q23_H_FUAH709_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		5 / 12 SER A 275
LEU A 189
VAL A 211
VAL A 216
ALA A 215
 SCY  A 112 ( 3.3A)
COA  A 401 (-4.2A)
COA  A 401 (-3.9A)
None
None
 1.20A 1q23H-4nhdA:
undetectable
1q23I-4nhdA:
undetectable		 1q23H-4nhdA:
21.97
1q23I-4nhdA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RU9_H_ACTH611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
(Burkholderia
pseudomallei) 		4 / 6 LEU A 164
LEU A 206
TRP A 100
PHE A 196
 COA  A 320 ( 4.7A)
None
None
None
 1.32A 1ru9H-4bqnA:
undetectable
1ru9L-4bqnA:
undetectable		 1ru9H-4bqnA:
18.75
1ru9L-4bqnA:
21.81
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 1yvk HYPOTHETICAL PROTEIN
BSU33890
(Bacillus
subtilis) 		4 / 8 ALA A  25
ASN A  68
LEU A  22
GLY A  52
 COA  A 201 (-3.6A)
None
None
None
 0.83A 1rukH-1yvkA:
undetectable
1rukL-1yvkA:
undetectable		 1rukH-1yvkA:
14.94
1rukL-1yvkA:
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.
1RUK_H_BEZH601_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 3ddd PUTATIVE
ACETYLTRANSFERASE
(Pyrococcus
horikoshii) 		4 / 8 ALA A  21
TYR A  22
GLY A  57
GLY A  59
 COA  A 300 (-3.5A)
COA  A 300 (-3.3A)
None
None
 0.78A 1rukH-3dddA:
undetectable
1rukL-3dddA:
undetectable		 1rukH-3dddA:
17.63
1rukL-3dddA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RUK_L_ACTL611_0
(IMMUNOGLOBULIN
IGG2A, HEAVY CHAIN
IMMUNOGLOBULIN
IGG2A, LIGHT CHAIN)		 4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
(Burkholderia
pseudomallei) 		4 / 6 LEU A 164
LEU A 206
TRP A 100
PHE A 196
 COA  A 320 ( 4.7A)
None
None
None
 1.34A 1rukH-4bqnA:
undetectable
1rukL-4bqnA:
undetectable		 1rukH-4bqnA:
18.75
1rukL-4bqnA:
21.81
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.
1S9P_B_DESB459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 ALA A 244
LEU A 218
VAL A 169
ARG A 168
LEU A 238
 None
None
None
None
COA  A1314 (-4.5A)
 1.17A 1s9pB-2c27A:
undetectable		 1s9pB-2c27A:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		3 / 3 LEU A  75
HIS A  44
ILE A 175
 None
COA  A 301 (-3.8A)
None
 0.63A 1s9pB-6bc5A:
undetectable		 1s9pB-6bc5A:
15.79
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.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		3 / 3 ASP A 115
PHE A 132
ASN A 120
 None
None
COA  A 600 ( 3.2A)
 0.88A 1sg9B-1s5kA:
undetectable		 1sg9B-1s5kA:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE
(Homo
sapiens) 		5 / 12 ASP A 137
GLY A 116
ALA A 115
ILE A 163
ILE A  40
 None
COA  A 402 (-3.5A)
NAP  A 401 (-3.2A)
NAP  A 401 (-4.6A)
NAP  A 401 (-4.0A)
 0.88A 1sguB-4fc7A:
undetectable		 1sguB-4fc7A:
15.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T46_A_STIA3_2
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		4 / 7 VAL A  21
VAL A  28
TYR A   4
CYH A  51
 COA  A 760 (-4.6A)
None
None
None
 1.31A 1t46A-2x58A:
undetectable		 1t46A-2x58A:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		 2hqy CONSERVED
HYPOTHETICAL PROTEIN
(Bacteroides
thetaiotaomicron) 		5 / 11 THR A 187
GLU A 190
GLU A 268
LEU A 275
ILE A 272
 COA  A1001 (-4.8A)
COA  A1001 (-3.2A)
None
COA  A1001 ( 4.7A)
COA  A1001 (-4.7A)
 1.40A 1t6zA-2hqyA:
undetectable		 1t6zA-2hqyA:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN
(Escherichia
coli) 		5 / 12 LEU A 100
LEU A  77
PHE A 120
VAL A  57
ALA A  58
 None
COA  A 200 ( 4.4A)
None
None
None
 1.06A 1tlsA-4rs2A:
undetectable		 1tlsA-4rs2A:
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.
1TSN_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		 4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN
(Escherichia
coli) 		5 / 12 LEU A 100
LEU A  77
PHE A 120
VAL A  57
ALA A  58
 None
COA  A 200 ( 4.4A)
None
None
None
 1.13A 1tsnA-4rs2A:
undetectable		 1tsnA-4rs2A:
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.
1UPF_B_URFB999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		4 / 7 ALA A  95
TYR A  90
ILE A  86
ILE A  25
 COA  A 500 (-3.9A)
None
COA  A 500 (-3.9A)
None
 0.75A 1upfB-2ozgA:
undetectable		 1upfB-2ozgA:
19.70
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.
1USQ_A_CLMA1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.78A 1usqA-3sqzA:
undetectable		 1usqA-3sqzA:
19.27
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.
1USQ_F_CLMF1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.77A 1usqF-3sqzA:
undetectable		 1usqF-3sqzA:
19.27
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.
1UTD_L_TRPL81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2vhe ACETYLTRANSFERASE
(Campylobacter
jejuni) 		5 / 12 HIS A 134
ILE A 129
GLY A 172
SER A 157
ALA A 139
 None
None
COA  A 300 (-3.5A)
None
None
 0.95A 1utdL-2vheA:
undetectable
1utdM-2vheA:
undetectable		 1utdL-2vheA:
15.62
1utdM-2vheA:
15.62
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.
1UTD_O_TRPO81_0
(TRANSCRIPTION
ATTENUATION PROTEIN
MTRB)		 2vhe ACETYLTRANSFERASE
(Campylobacter
jejuni) 		5 / 12 HIS A 134
ILE A 129
GLY A 172
SER A 157
ALA A 139
 None
None
COA  A 300 (-3.5A)
None
None
 0.95A 1utdO-2vheA:
undetectable
1utdP-2vheA:
undetectable		 1utdO-2vheA:
15.62
1utdP-2vheA:
15.62
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.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA
(Escherichia
coli;
Mycobacterium
tuberculosis) 		5 / 10 GLY A 460
VAL A 482
GLY A 483
VAL A 473
HIS A 464
 None
None
None
None
COA  A 602 (-3.6A)
 1.22A 1v3qE-4qvhA:
undetectable		 1v3qE-4qvhA:
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.
1XDK_B_9CRB600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3ddd PUTATIVE
ACETYLTRANSFERASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 114
PHE A  89
ARG A 246
 COA  A 300 (-4.1A)
None
None
 0.68A 1xdkB-3dddA:
undetectable		 1xdkB-3dddA:
19.50
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.
1XDK_F_9CRF1600_2
(RETINOIC ACID
RECEPTOR, BETA)		 3ddd PUTATIVE
ACETYLTRANSFERASE
(Pyrococcus
horikoshii) 		3 / 3 LEU A 114
PHE A  89
ARG A 246
 COA  A 300 (-4.1A)
None
None
 0.68A 1xdkF-3dddA:
undetectable		 1xdkF-3dddA:
19.50
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.
1XVA_B_SAMB293_0
(GLYCINE
N-METHYLTRANSFERASE)		 4bqn CAPSULAR
POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
(Burkholderia
pseudomallei) 		5 / 12 TYR A 120
ALA A  18
ASP A 232
TYR A 197
TYR A  97
 None
None
None
None
COA  A 320 (-3.6A)
 1.28A 1xvaB-4bqnA:
undetectable		 1xvaB-4bqnA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		 5w40 POPP2 PROTEIN
(Ralstonia
solanacearum) 		5 / 12 GLY A 385
SER A 390
LEU A 324
SER A 325
LEU A 281
 None
None
SCY  A 321 ( 4.8A)
SCY  A 321 ( 3.0A)
COA  A 502 (-4.5A)
 1.00A 1ya4A-5w40A:
undetectable		 1ya4A-5w40A:
21.72
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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		 2nyg YOKD PROTEIN
(Bacillus
subtilis) 		5 / 8 GLY A 243
SER A 244
ALA A 245
LEU A  39
ILE A   5
 None
None
None
COA  A 301 (-4.3A)
COA  A 301 (-4.3A)
 1.03A 1yajC-2nygA:
undetectable		 1yajC-2nygA:
20.08
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		 4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE
(Acetobacter
aceti) 		4 / 5 PRO A  91
GLY A 115
ASN A 347
GLY A 388
 None
None
None
COA  A2598 ( 4.4A)
 0.99A 1zlqA-4eudA:
0.7		 1zlqA-4eudA:
23.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ZP4_C_C2FC997_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 10 ASP A 275
GLN A 242
SER A 251
TYR A 246
LEU A 299
 None
None
COA  A 403 (-2.5A)
None
COA  A 403 (-3.9A)
 1.43A 1zp4C-4q38A:
0.0		 1zp4C-4q38A:
21.14
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.
1ZQ9_B_SAMB4001_0
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		 3gy9 GCN5-RELATED
N-ACETYLTRANSFERASE
(Exiguobacterium
sibiricum) 		5 / 12 GLY A  93
GLY A  91
VAL A  81
LEU A  97
ILE A 100
 COA  A 201 (-3.4A)
COA  A 201 (-3.2A)
COA  A 201 (-4.3A)
None
None
 1.00A 1zq9B-3gy9A:
undetectable		 1zq9B-3gy9A:
16.26
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.
1ZZ1_A_SHHA2452_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		 5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE
(Dinoroseobacter
shibae) 		5 / 11 LEU A 505
ILE A 566
PHE A 143
ASP A 281
GLY A 283
 None
None
None
COA  A 703 ( 4.4A)
None
 1.25A 1zz1A-5gxdA:
2.5		 1zz1A-5gxdA:
22.26
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.
1ZZU_A_ACTA860_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 5 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.25A 1zzuA-5xxsA:
undetectable		 1zzuA-5xxsA:
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.
1ZZU_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 5 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.25A 1zzuB-5xxsA:
undetectable		 1zzuB-5xxsA:
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE
(Acetobacter
aceti) 		4 / 7 ASP A  18
GLY A  20
GLY A  21
ASN A 102
 None
None
None
COA  A2001 (-4.0A)
 0.67A 2c49B-3ubmA:
2.6		 2c49B-3ubmA:
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.
2C6N_A_LPRA705_1
(ANGIOTENSIN-CONVERTI
NG ENZYME, SOMATIC
ISOFORM)		 5cuo PHOSPHATE
PROPANOYLTRANSFERASE
(Rhodopseudomonas
palustris) 		5 / 12 ALA A 154
HIS A  48
GLU A 109
HIS A  50
HIS A 159
 None
COA  A 501 ( 3.0A)
ZN  A 503 (-2.3A)
ZN  A 503 ( 3.3A)
ZN  A 502 (-3.4A)
 1.25A 2c6nA-5cuoA:
undetectable		 2c6nA-5cuoA:
15.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		 3qb8 A654L PROTEIN
(Paramecium
bursaria
Chlorella
virus
1) 		5 / 11 PHE A 162
THR A 132
THR A 126
ALA A 125
VAL A 112
 None
None
COA  A 198 (-3.5A)
COA  A 198 (-3.2A)
None
 0.97A 2cojA-3qb8A:
undetectable
2cojB-3qb8A:
undetectable		 2cojA-3qb8A:
19.12
2cojB-3qb8A:
19.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRD_A_MIYA2001_1
(ACRB)		 2pr1 UNCHARACTERIZED
N-ACETYLTRANSFERASE
YLBP
(Bacillus
subtilis) 		5 / 9 GLY A  97
GLU A 102
ALA A  58
VAL A  57
PHE A  52
 COA  A 206 (-2.6A)
None
None
None
None
 1.12A 2drdA-2pr1A:
undetectable		 2drdA-2pr1A:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRD_A_MIYA2001_1
(ACRB)		 2pr1 UNCHARACTERIZED
N-ACETYLTRANSFERASE
YLBP
(Bacillus
subtilis) 		5 / 9 GLY A  97
ILE A  50
ALA A  58
VAL A  57
PHE A  52
 COA  A 206 (-2.6A)
None
None
None
None
 1.13A 2drdA-2pr1A:
undetectable		 2drdA-2pr1A:
10.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		 2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
graminearum) 		5 / 12 LEU A 244
LEU A 327
THR A 249
THR A 261
ALA A 264
 None
None
None
COA  A 452 (-3.7A)
None
 0.77A 2egvA-2rkvA:
undetectable		 2egvA-2rkvA:
20.53
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		 2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
sporotrichioides) 		5 / 12 LEU A 252
LEU A 335
THR A 257
THR A 269
ALA A 272
 None
None
None
COA  A 462 (-3.7A)
None
 0.78A 2egvA-2zbaA:
undetectable		 2egvA-2zbaA:
19.70
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
graminearum) 		5 / 12 LEU A 244
LEU A 327
THR A 249
THR A 261
ALA A 264
 None
None
None
COA  A 452 (-3.7A)
None
 0.76A 2egvB-2rkvA:
undetectable		 2egvB-2rkvA:
20.53
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.
2EGV_B_SAMB1400_0
(UPF0088 PROTEIN
AQ_165)		 2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
sporotrichioides) 		5 / 12 LEU A 252
LEU A 335
THR A 257
THR A 269
ALA A 272
 None
None
None
COA  A 462 (-3.7A)
None
 0.77A 2egvB-2zbaA:
undetectable		 2egvB-2zbaA:
19.70
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		4 / 7 HIS A 221
ASN A 318
ASP A 276
GLY A 222
 CIT  A 379 (-3.9A)
COA  A 380 (-3.4A)
None
CIT  A 379 ( 3.7A)
 1.04A 2f6dA-1a59A:
0.0		 2f6dA-1a59A:
22.78
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.
2F6D_A_ACRA996_1
(GLUCOAMYLASE GLU1)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		4 / 7 HIS A 223
ASN A 310
ASP A 269
GLY A 224
 CIT  A1000 (-4.0A)
COA  A3000 (-3.3A)
None
CIT  A1000 (-4.2A)
 0.99A 2f6dA-1aj8A:
0.0		 2f6dA-1aj8A:
23.18
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.
2GLU_A_SAMA301_0
(YCGJ)		 5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE
(Dinoroseobacter
shibae) 		5 / 12 GLY A 287
THR A 391
ALA A 279
THR A 332
ALA A 333
 None
AMP  A 701 (-3.6A)
None
None
COA  A 703 ( 3.8A)
 1.09A 2gluA-5gxdA:
3.0		 2gluA-5gxdA:
17.46
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.
2H42_A_VIAA901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		 3gy9 GCN5-RELATED
N-ACETYLTRANSFERASE
(Exiguobacterium
sibiricum) 		5 / 11 ALA A  53
ILE A   5
PHE A 121
LEU A 125
ILE A  78
 None
None
COA  A 201 (-3.8A)
None
None
 1.12A 2h42A-3gy9A:
undetectable		 2h42A-3gy9A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_A_ACHA546_0
(ACETYLCHOLINESTERASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 8 TYR A 226
TYR A 297
PHE A 197
GLY A 254
 None
None
None
COA  A 401 (-3.3A)
 1.07A 2ha4A-5kf2A:
undetectable		 2ha4A-5kf2A:
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.
2HRC_A_CHDA702_0
(FERROCHELATASE)		 4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII
(Mycobacterium
ulcerans) 		4 / 7 LEU A  11
PRO A  81
VAL A 102
TRP A  83
 None
COA  A 301 (-3.9A)
None
None
 1.36A 2hrcA-4qjlA:
undetectable		 2hrcA-4qjlA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		4 / 7 THR A  81
ALA A 245
ASN A 273
PHE A 157
 None
COA  A 401 (-3.3A)
COA  A 401 (-3.7A)
COA  A 401 (-4.6A)
 1.20A 2hzqA-4nhdA:
undetectable		 2hzqA-4nhdA:
20.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JKJ_E_CLME1141_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.76A 2jkjE-3sqzA:
undetectable		 2jkjE-3sqzA:
19.27
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.
2JKL_A_CLMA1144_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.78A 2jklA-3sqzA:
undetectable		 2jklA-3sqzA:
19.27
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.
2JKL_C_CLMC1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.81A 2jklC-3sqzA:
undetectable		 2jklC-3sqzA:
19.27
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.
2JKL_D_CLMD1145_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.79A 2jklD-3sqzA:
undetectable		 2jklD-3sqzA:
19.27
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.
2JKL_E_CLME1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.77A 2jklE-3sqzA:
undetectable		 2jklE-3sqzA:
19.27
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.
2JKL_F_CLMF1143_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		4 / 7 PRO A 148
GLY A 146
THR A 193
GLY A 144
 COA  A 601 (-4.8A)
None
None
None
 0.79A 2jklF-3sqzA:
undetectable		 2jklF-3sqzA:
19.27
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.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 6 LEU A 204
ASN A 171
GLN A 245
PHE A 206
 None
None
COA  A1314 (-3.5A)
None
 1.17A 2jn3A-2c27A:
undetectable		 2jn3A-2c27A:
17.67
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.
2JST_A_HLTA101_1
(FOUR-ALPHA-HELIX
BUNDLE)		 2zw4 BLEOMYCIN
ACETYLTRANSFERASE
(Streptomyces
verticillus) 		4 / 5 ALA A 113
TRP A  97
LEU A  98
ALA A 112
 None
COA  A 401 (-4.3A)
COA  A 401 ( 4.5A)
None
 1.23A 2jstA-2zw4A:
undetectable
2jstB-2zw4A:
undetectable		 2jstA-2zw4A:
12.46
2jstB-2zw4A:
12.46
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.
2NNI_A_MTKA501_2
(CYTOCHROME P450 2C8)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		4 / 8 ILE A 167
ARG A 118
VAL A 119
ALA A 113
 None
COA  A 760 (-4.0A)
None
None
 0.69A 2nniA-2x58A:
undetectable		 2nniA-2x58A:
21.22
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.
2PRG_B_BRLB2_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		5 / 12 PHE A 230
CYH A 231
HIS A 233
LEU A 209
TYR A 205
 None
None
COA  A 601 (-4.8A)
None
None
 1.32A 2prgB-3sqzA:
undetectable		 2prgB-3sqzA:
23.91
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.
2QD3_A_CHDA502_0
(FERROCHELATASE)		 2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
sporotrichioides) 		4 / 8 ARG A 201
SER A 386
GLY A 172
MET A 170
 None
COA  A 462 ( 2.6A)
None
None
 1.13A 2qd3A-2zbaA:
undetectable		 2qd3A-2zbaA:
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.
2QL8_A_BEZA143_0
(PUTATIVE REDOX
PROTEIN)		 1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)
(Serratia
marcescens) 		4 / 7 ALA A 125
THR A 124
ALA A 123
ARG A 119
 None
COA  A 300 ( 3.6A)
COA  A 300 ( 3.2A)
COA  A 300 ( 4.0A)
 0.99A 2ql8A-1bo4A:
undetectable
2ql8B-1bo4A:
2.2		 2ql8A-1bo4A:
25.15
2ql8B-1bo4A:
25.15
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.
2QMZ_A_LDPA501_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE)		 5zai -
(-) 		4 / 7 GLU A 113
GLY A  64
PHE A  70
ILE A 138
 None
COA  A 301 ( 4.3A)
COA  A 301 (-4.8A)
None
 1.02A 2qmzA-5zaiA:
undetectable
2qmzB-5zaiA:
undetectable		 2qmzA-5zaiA:
undetectable
2qmzB-5zaiA:
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.
2QX6_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		5 / 6 PHE A 278
ILE A 267
PHE A 228
GLY A 322
GLY A 321
 COA  A 500 (-4.8A)
COA  A 500 ( 4.2A)
None
COA  A 500 (-3.2A)
COA  A 500 (-4.0A)
 1.14A 2qx6A-2d52A:
undetectable
2qx6B-2d52A:
undetectable		 2qx6A-2d52A:
19.85
2qx6B-2d52A:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_B_ECNB1406_1
(CYTOCHROME P450 130)		 4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)
(Candidatus
Korarchaeum
cryptofilum) 		5 / 11 PRO A  44
MET A  53
GLY A  17
LEU A  33
VAL A  72
 None
None
COA  A 501 (-3.3A)
None
None
 1.49A 2uvnB-4xz3A:
undetectable		 2uvnB-4xz3A:
20.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 11 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
 1.04A 2vavA-2vatA:
59.7		 2vavA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 11 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.85A 2vavA-2vatA:
59.7		 2vavA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 11 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.40A 2vavA-2vatA:
59.7		 2vavA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.95A 2vavB-2vatA:
59.3		 2vavB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.81A 2vavB-2vatA:
59.3		 2vavB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.60A 2vavB-2vatA:
59.3		 2vavB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.39A 2vavB-2vatA:
59.3		 2vavB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		7 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 1.00A 2vavC-2vatA:
58.8		 2vavC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.73A 2vavC-2vatA:
58.8		 2vavC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.50A 2vavC-2vatA:
58.8		 2vavC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		7 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.99A 2vavD-2vatA:
58.7		 2vavD-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.74A 2vavD-2vatA:
58.7		 2vavD-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.50A 2vavD-2vatA:
58.7		 2vavD-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
 1.06A 2vavE-2vatA:
59.3		 2vavE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.88A 2vavE-2vatA:
59.3		 2vavE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.58A 2vavE-2vatA:
59.3		 2vavE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.39A 2vavE-2vatA:
59.3		 2vavE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.84A 2vavF-2vatA:
58.4		 2vavF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
PHE A 301
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
None
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.63A 2vavF-2vatA:
58.4		 2vavF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_F_CSCF1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 (-2.8A)
 1.42A 2vavF-2vatA:
58.4		 2vavF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_F_CSCF1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		3 / 3 LEU A  59
MET A 150
MET A 367
 None
None
COA  A1383 (-3.6A)
 0.14A 2vavF-2vatA:
58.4		 2vavF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 1.10A 2vavG-2vatA:
58.7		 2vavG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.84A 2vavG-2vatA:
58.7		 2vavG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.63A 2vavG-2vatA:
58.7		 2vavG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.35A 2vavG-2vatA:
58.7		 2vavG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 ( 4.9A)
 1.14A 2vavH-2vatA:
58.8		 2vavH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 LEU A  59
THR A  60
PHE A 186
HIS A 362
VAL A 366
 None
COA  A1383 ( 4.9A)
None
COA  A1383 ( 4.6A)
COA  A1383 ( 4.9A)
 1.40A 2vavH-2vatA:
58.8		 2vavH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
HIS A 362
ASP A 363
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
COA  A1383 ( 4.9A)
 0.81A 2vavH-2vatA:
58.8		 2vavH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
PHE A 301
HIS A 362
ASP A 363
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
COA  A1383 ( 4.9A)
 0.48A 2vavH-2vatA:
58.8		 2vavH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 (-2.8A)
 1.44A 2vavH-2vatA:
58.8		 2vavH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_I_CSCI1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.81A 2vavI-2vatA:
59.2		 2vavI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_I_CSCI1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
ASP A 363
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 (-3.6A)
 0.59A 2vavI-2vatA:
59.2		 2vavI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_I_CSCI1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.39A 2vavI-2vatA:
59.2		 2vavI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.85A 2vavJ-2vatA:
58.2		 2vavJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.66A 2vavJ-2vatA:
58.2		 2vavJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
ASP A 363
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 (-2.8A)
 1.37A 2vavJ-2vatA:
58.2		 2vavJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.90A 2vavK-2vatA:
57.7		 2vavK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.73A 2vavK-2vatA:
57.7		 2vavK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.57A 2vavK-2vatA:
57.7		 2vavK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
PHE A 186
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
None
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.06A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.91A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  58
TYR A 225
LYS A 226
ARG A 234
PHE A 301
 COA  A1383 ( 4.1A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
 1.31A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 THR A  60
PHE A 186
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
None
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.19A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  60
TYR A 225
LYS A 226
ARG A 234
PHE A 301
HIS A 362
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.86A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
PHE A 301
HIS A 362
ASP A 363
PHE A 365
VAL A 366
 COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
None
COA  A1383 ( 4.6A)
COA  A1383 (-2.8A)
None
COA  A1383 ( 4.9A)
 0.63A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAV_L_CSCL1383_2
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		4 / 4 THR A  58
LEU A  59
MET A 150
MET A 367
 COA  A1383 ( 4.1A)
None
None
COA  A1383 (-3.6A)
 0.13A 2vavL-2vatA:
58.3		 2vavL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 1.10A 2vaxA-2vatA:
59.2		 2vaxA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.77A 2vaxA-2vatA:
59.2		 2vaxA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_A_CSCA1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.63A 2vaxA-2vatA:
59.2		 2vaxA-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
ASN A 222
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 ( 4.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.09A 2vaxB-2vatA:
59.0		 2vaxB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.93A 2vaxB-2vatA:
59.0		 2vaxB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ASN A 222
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.27A 2vaxB-2vatA:
59.0		 2vaxB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_B_CSCB1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.64A 2vaxB-2vatA:
59.0		 2vaxB-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		7 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 1.03A 2vaxC-2vatA:
58.6		 2vaxC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.79A 2vaxC-2vatA:
58.6		 2vaxC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_C_CSCC1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.62A 2vaxC-2vatA:
58.6		 2vaxC-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.84A 2vaxD-2vatA:
58.6		 2vaxD-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_D_CSCD1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		11 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.63A 2vaxD-2vatA:
58.6		 2vaxD-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 1.09A 2vaxE-2vatA:
58.9		 2vaxE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.75A 2vaxE-2vatA:
58.9		 2vaxE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_E_CSCE1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.60A 2vaxE-2vatA:
58.9		 2vaxE-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_F_CSCF1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.97A 2vaxF-2vatA:
58.4		 2vaxF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_F_CSCF1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.75A 2vaxF-2vatA:
58.4		 2vaxF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_F_CSCF1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.70A 2vaxF-2vatA:
58.4		 2vaxF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_F_CSCF1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.44A 2vaxF-2vatA:
58.4		 2vaxF-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		7 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 1.03A 2vaxG-2vatA:
58.4		 2vaxG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.70A 2vaxG-2vatA:
58.4		 2vaxG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_G_CSCG1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.59A 2vaxG-2vatA:
58.4		 2vaxG-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.08A 2vaxH-2vatA:
58.5		 2vaxH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.72A 2vaxH-2vatA:
58.5		 2vaxH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_H_CSCH1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.45A 2vaxH-2vatA:
58.5		 2vaxH-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
ASN A 222
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 ( 4.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.12A 2vaxI-2vatA:
58.9		 2vaxI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.94A 2vaxI-2vatA:
58.9		 2vaxI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ASN A 222
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 1.26A 2vaxI-2vatA:
58.9		 2vaxI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_I_CSCI1384_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.61A 2vaxI-2vatA:
58.9		 2vaxI-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 1.12A 2vaxJ-2vatA:
58.3		 2vaxJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.76A 2vaxJ-2vatA:
58.3		 2vaxJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_J_CSCJ1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
MET A 367
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 (-3.6A)
 0.66A 2vaxJ-2vatA:
58.3		 2vaxJ-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.94A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.72A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_K_CSCK1385_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		10 / 12 THR A  58
LEU A  59
THR A  60
TYR A 225
LYS A 226
TYR A 277
GLN A 281
HIS A 362
PHE A 365
VAL A 366
 COA  A1383 ( 4.1A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
 0.71A 2vaxK-2vatA:
58.3		 2vaxK-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 ARG A 218
TYR A 225
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 (-3.8A)
COA  A1383 (-4.1A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.90A 2vaxL-2vatA:
58.2		 2vaxL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
ARG A 234
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-3.8A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.74A 2vaxL-2vatA:
58.2		 2vaxL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
GLN A 281
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.0A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.71A 2vaxL-2vatA:
58.2		 2vaxL-2vatA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2VAX_L_CSCL1383_1
(ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		9 / 12 THR A  58
THR A  60
TYR A 225
LYS A 226
TYR A 277
HIS A 362
PHE A 365
VAL A 366
MET A 367
 COA  A1383 ( 4.1A)
COA  A1383 ( 4.9A)
COA  A1383 (-4.1A)
COA  A1383 (-2.8A)
COA  A1383 (-4.4A)
COA  A1383 ( 4.6A)
None
COA  A1383 ( 4.9A)
COA  A1383 (-3.6A)
 0.44A 2vaxL-2vatA:
58.2		 2vaxL-2vatA:
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.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		 4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE
(Acetobacter
aceti) 		5 / 12 ALA A  38
ALA A 230
VAL A 270
GLY A 269
GLN A 267
 None
None
None
COA  A2598 (-3.6A)
COA  A2598 (-4.7A)
 1.17A 2ve3B-4eudA:
undetectable		 2ve3B-4eudA:
23.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 12 GLY A 352
SER A 252
ALA A 348
ASN A 321
GLY A  95
 None
COA  A1001 (-3.7A)
None
None
None
 1.10A 2vmyB-1wl4A:
undetectable		 2vmyB-1wl4A:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qjk PHOSPHOPANTETHEINYL
TRANSFERASE PPTT
(Mycobacterium
tuberculosis) 		5 / 12 LEU A  19
VAL A   7
ALA A 107
SER A  90
GLY A 112
 None
None
None
COA  A 301 ( 4.9A)
None
 1.10A 2vmyB-4qjkA:
undetectable		 2vmyB-4qjkA:
22.09
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 346
SER A 246
ALA A 342
ASN A 315
GLY A  96
 None
COA  A 401 (-3.7A)
None
None
None
 1.12A 2vmyB-4ubtA:
undetectable		 2vmyB-4ubtA:
23.58
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.
2VMY_A_FFOA505_1
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 346
SER A 246
ASN A 315
SER A 354
GLY A  96
 None
COA  A 401 (-3.7A)
None
None
None
 1.28A 2vmyB-4ubtA:
undetectable		 2vmyB-4ubtA:
23.58
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.
2VMY_B_FFOB505_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		 4qjk PHOSPHOPANTETHEINYL
TRANSFERASE PPTT
(Mycobacterium
tuberculosis) 		6 / 12 LEU A  19
LEU A  11
VAL A   7
ALA A 107
SER A  90
GLY A 112
 None
None
None
None
COA  A 301 ( 4.9A)
None
 1.44A 2vmyA-4qjkA:
undetectable		 2vmyA-4qjkA:
22.09
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.
2VQY_A_PARA1201_1
(AAC(6')-IB)		 1a59 CITRATE SYNTHASE
(Antarctic
bacterium
DS2-3R) 		5 / 12 GLY A 266
TYR A 302
LEU A 286
TYR A 327
SER A 179
 COA  A 380 (-3.5A)
None
None
None
None
 1.35A 2vqyA-1a59A:
0.0		 2vqyA-1a59A:
20.10
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		 3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB
(Aspergillus
oryzae) 		5 / 11 ALA A 254
GLY A 154
HIS A 377
GLY A 312
HIS A 310
 None
None
None
COA  A 401 (-3.8A)
None
 1.08A 2x1lA-3wxyA:
undetectable		 2x1lA-3wxyA:
23.84
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.
2X1L_C_ADNC601_1
(METHIONYL-TRNA
SYNTHETASE)		 3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB
(Aspergillus
oryzae) 		5 / 11 ALA A 254
GLY A 154
HIS A 377
GLY A 312
HIS A 310
 None
None
None
COA  A 401 (-3.8A)
None
 1.12A 2x1lC-3wxyA:
undetectable		 2x1lC-3wxyA:
23.84
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.
2X8O_A_OINA1314_1
(CHOLINE-BINDING
PROTEIN F)		 5vxc CITRATE LYASE
SUBUNIT BETA-LIKE
PROTEIN,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 5 LYS A  58
ASP A  55
ARG A  89
GLU A  56
 COA  A 401 (-4.3A)
None
None
None
 1.44A 2x8oA-5vxcA:
undetectable		 2x8oA-5vxcA:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 5jph ACETYLTRANSFERASE
SACOL1063
(Staphylococcus
aureus) 		3 / 3 ARG A  78
GLY A  79
SER A 116
 COA  A 202 (-3.6A)
COA  A 202 (-3.3A)
COA  A 202 ( 3.9A)
 0.59A 2xctB-5jphA:
undetectable		 2xctB-5jphA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_X_CPFX1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 4 ARG A 141
GLY A 139
GLU A 168
SER A 131
 None
None
None
COA  A 169 (-3.2A)
 1.21A 2xctS-3fbuA:
undetectable
2xctU-3fbuA:
undetectable		 2xctS-3fbuA:
13.38
2xctU-3fbuA:
13.38
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.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		 2oi6 BIFUNCTIONAL PROTEIN
GLMU
(Escherichia
coli) 		5 / 12 THR A 382
ILE A 378
GLY A 379
LEU A 409
ILE A 421
 None
None
COA  A2000 ( 4.5A)
None
None
 1.18A 2y7kD-2oi6A:
undetectable		 2y7kD-2oi6A:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YFX_A_VGHA9000_1
(TYROSINE-PROTEIN
KINASE RECEPTOR)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 8 LEU A 206
ALA A  36
GLY A 335
GLY A 401
ASP A 404
 None
None
None
COA  A2600 ( 4.5A)
None
 1.37A 2yfxA-2ahwA:
undetectable		 2yfxA-2ahwA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		4 / 5 GLN A 362
THR A 334
THR A 399
LEU A 376
 None
None
None
COA  A2600 (-4.9A)
 1.35A 2zj0A-2ahwA:
2.1		 2zj0A-2ahwA:
23.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZN_B_SAMB402_0
(UNCHARACTERIZED
PROTEIN MJ0883)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 PHE A  15
LEU A 186
ARG A 189
ILE A 104
ASP A 105
 COA  A 500 (-4.6A)
None
None
None
None
 1.34A 2zznB-1q6yA:
2.9		 2zznB-1q6yA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 3ho8 PYRUVATE CARBOXYLASE
(Staphylococcus
aureus) 		4 / 5 ILE A1089
TYR A1078
ARG A1085
THR A 500
 None
None
COA  A2001 (-3.5A)
None
 1.47A 3abkN-3ho8A:
undetectable
3abkW-3ho8A:
undetectable		 3abkN-3ho8A:
17.96
3abkW-3ho8A:
4.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		5 / 9 LEU A  76
ILE A  60
GLY A  61
GLU A  72
LEU A 109
 COA  A 601 (-4.2A)
None
None
None
None
 1.08A 3ai9X-1n71A:
undetectable		 3ai9X-1n71A:
21.20
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.01A 3bexC-1eblA:
undetectable
3bexD-1eblA:
0.0		 3bexC-1eblA:
23.08
3bexD-1eblA:
23.08
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.
3BEX_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 10 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.01A 3bexC-1eblA:
undetectable
3bexD-1eblA:
undetectable		 3bexC-1eblA:
23.08
3bexD-1eblA:
23.08
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.
3BEX_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 10 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.01A 3bexE-1eblA:
undetectable
3bexF-1eblA:
0.0		 3bexE-1eblA:
23.08
3bexF-1eblA:
23.08
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.
3BEX_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.01A 3bexE-1eblA:
undetectable
3bexF-1eblA:
0.0		 3bexE-1eblA:
23.08
3bexF-1eblA:
23.08
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.01A 3bf1A-1eblA:
undetectable
3bf1B-1eblA:
undetectable		 3bf1A-1eblA:
23.08
3bf1B-1eblA:
23.08
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.04A 3bf1A-1eblA:
undetectable
3bf1B-1eblA:
undetectable		 3bf1A-1eblA:
23.08
3bf1B-1eblA:
23.08
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.
3BF1_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 0.98A 3bf1C-1eblA:
undetectable
3bf1D-1eblA:
0.0		 3bf1C-1eblA:
23.08
3bf1D-1eblA:
23.08
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.
3BF1_D_PAUD248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.03A 3bf1C-1eblA:
undetectable
3bf1D-1eblA:
undetectable		 3bf1C-1eblA:
23.08
3bf1D-1eblA:
23.08
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.
3BF1_E_PAUE248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.00A 3bf1E-1eblA:
undetectable
3bf1F-1eblA:
0.0		 3bf1E-1eblA:
23.08
3bf1F-1eblA:
23.08
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.
3BF1_F_PAUF248_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 11 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.01A 3bf1E-1eblA:
undetectable
3bf1F-1eblA:
undetectable		 3bf1E-1eblA:
23.08
3bf1F-1eblA:
23.08
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		4 / 8 GLY A 334
TRP A 185
PHE A 186
TYR A 225
 None
None
None
COA  A1383 (-4.1A)
 1.32A 3ccfA-2vatA:
2.8		 3ccfA-2vatA:
18.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		4 / 5 GLN A 362
THR A 334
THR A 399
LEU A 376
 None
None
None
COA  A2600 (-4.9A)
 1.36A 3ce6A-2ahwA:
undetectable		 3ce6A-2ahwA:
23.58
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.
3CE6_C_ADNC500_2
(ADENOSYLHOMOCYSTEINA
SE)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		4 / 5 GLN A 362
THR A 334
THR A 399
LEU A 376
 None
None
None
COA  A2600 (-4.9A)
 1.37A 3ce6C-2ahwA:
undetectable		 3ce6C-2ahwA:
23.58
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.
3CR4_X_PNTX101_0
(PROTEIN S100-B)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 CYH A 196
HIS A 192
PHE A 356
 None
COA  A6001 (-4.5A)
COA  A6001 (-4.5A)
 1.21A 3cr4X-2ibuA:
0.0		 3cr4X-2ibuA:
13.37
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.
3CR5_X_PNTX95_0
(PROTEIN S100-B)		 1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens) 		3 / 3 CYH B 574
PHE B 573
PHE B 522
 COA  B 700 (-3.1A)
None
None
 1.01A 3cr5X-1cm0B:
undetectable		 3cr5X-1cm0B:
20.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 LEU A 121
GLY A 101
GLY A  99
ALA A 105
LEU A  78
 None
None
COA  A 760 ( 4.0A)
None
None
 0.96A 3dh0B-2x58A:
4.4		 3dh0B-2x58A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EEY_E_SAME300_0
(PUTATIVE RRNA
METHYLASE)		 3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB
(Aspergillus
oryzae) 		5 / 12 GLY A 312
ILE A 345
GLY A 154
HIS A 377
LEU A 212
 COA  A 401 (-3.8A)
None
None
None
None
 1.18A 3eeyE-3wxyA:
undetectable		 3eeyE-3wxyA:
18.71
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.
3EEY_F_SAMF300_0
(PUTATIVE RRNA
METHYLASE)		 3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB
(Aspergillus
oryzae) 		5 / 12 GLY A 312
ILE A 345
GLY A 154
HIS A 377
LEU A 212
 COA  A 401 (-3.8A)
None
None
None
None
 1.11A 3eeyF-3wxyA:
undetectable		 3eeyF-3wxyA:
18.71
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.
3EEY_J_SAMJ300_0
(PUTATIVE RRNA
METHYLASE)		 3wxy PUTATIVE
UNCHARACTERIZED
PROTEIN CSYB
(Aspergillus
oryzae) 		5 / 12 GLY A 312
ILE A 345
GLY A 154
HIS A 377
LEU A 212
 COA  A 401 (-3.8A)
None
None
None
None
 1.18A 3eeyJ-3wxyA:
undetectable		 3eeyJ-3wxyA:
18.71
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.
3EIG_A_MTXA200_2
(DIHYDROFOLATE
REDUCTASE)		 3owc PROBABLE
ACETYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 ARG A  96
ILE A  97
VAL A 133
THR A 159
 EDO  A 187 (-3.5A)
None
COA  A2598 ( 4.5A)
None
 1.25A 3eigA-3owcA:
undetectable		 3eigA-3owcA:
21.82
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.
3EL9_A_DR7A100_2
(PROTEASE)		 4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE
(Homo
sapiens) 		5 / 10 ASP A 137
GLY A 116
ALA A 115
ILE A  40
GLY A 216
 None
COA  A 402 (-3.5A)
NAP  A 401 (-3.2A)
NAP  A 401 (-4.0A)
NAP  A 401 (-3.2A)
 1.05A 3el9B-4fc7A:
undetectable		 3el9B-4fc7A:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_A_CHDA152_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		3 / 3 VAL A 361
LYS A 372
HIS A 201
 None
COA  A 500 (-3.3A)
None
 0.69A 3elzA-3qdqA:
undetectable		 3elzA-3qdqA:
15.78
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.
3EM0_B_CHDB153_0
(ILEAL BILE
ACID-BINDING PROTEIN)		 4psw HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT
(Saccharomyces
cerevisiae) 		4 / 7 ILE A 188
PHE A  31
PHE A 160
GLY A 232
 None
None
None
COA  A 401 (-3.3A)
 0.86A 3em0B-4pswA:
1.8		 3em0B-4pswA:
16.72
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.
3FI0_P_TRPP1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		 3ddd PUTATIVE
ACETYLTRANSFERASE
(Pyrococcus
horikoshii) 		4 / 7 GLY A  85
VAL A  75
ILE A   3
GLN A  -1
 COA  A 300 (-3.6A)
COA  A 300 ( 4.3A)
EDO  A 301 (-4.7A)
None
 0.91A 3fi0P-3dddA:
undetectable		 3fi0P-3dddA:
23.25
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		5 / 12 SER A  61
THR A  60
GLY A 151
ILE A 172
VAL A  55
 None
COA  A1383 ( 4.9A)
None
None
None
 0.93A 3fzgA-2vatA:
2.5		 3fzgA-2vatA:
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		 6bja ACETYL-COA
ACETYLTRANSFERASE A
(Ascaris
suum) 		5 / 12 SER A 251
THR A 252
GLY A 346
GLY A 351
ILE A 361
 COA  A 402 (-2.2A)
None
None
None
None
 1.28A 3fzgA-6bjaA:
undetectable		 3fzgA-6bjaA:
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.
3G4L_C_ROFC903_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		3 / 3 SER A  18
GLN A  19
PHE A  22
 COA  A 901 (-3.1A)
COA  A 901 (-4.9A)
None
 0.54A 3g4lC-1cqjA:
0.2		 3g4lC-1cqjA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		 2gq3 MALATE SYNTHASE G
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 118
LEU A 122
LEU A 128
ILE A 269
 COA  A 800 (-3.9A)
EPE  A5000 (-4.1A)
None
None
 0.71A 3gp0A-2gq3A:
undetectable		 3gp0A-2gq3A:
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		 1bo4 PROTEIN (SERRATIA
MARCESCENS
AMINOGLYCOSIDE-3-N-A
CETYLTRANSFERASE)
(Serratia
marcescens) 		5 / 12 LEU A 111
ALA A  92
GLY A  89
ILE A 108
LEU A 130
 COA  A 300 ( 3.9A)
None
None
None
None
 1.27A 3gyqA-1bo4A:
undetectable
3gyqB-1bo4A:
undetectable		 3gyqA-1bo4A:
24.71
3gyqB-1bo4A:
24.71
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.
3HCN_B_CHDB2_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2gq3 MALATE SYNTHASE G
(Mycobacterium
tuberculosis) 		3 / 3 LEU A 294
LEU A 299
ARG A 312
 None
None
COA  A 800 (-2.7A)
 0.55A 3hcnB-2gq3A:
undetectable		 3hcnB-2gq3A:
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.
3HCR_B_CHDB924_0
(FERROCHELATASE,
MITOCHONDRIAL)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		4 / 7 LEU A  69
ARG A 197
SER A 215
GLY A 104
 None
None
COA  A 401 (-4.0A)
COA  A 401 (-4.0A)
 0.99A 3hcrB-2pfrA:
undetectable		 3hcrB-2pfrA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		5 / 12 GLY A  10
ASN A 306
GLY A   9
SER A 113
ASP A 284
 None
COA  A 556 (-3.3A)
FAD  A 555 (-3.1A)
FAD  A 555 (-2.9A)
FAD  A 555 (-2.9A)
 1.06A 3huoB-3icsA:
undetectable		 3huoB-3icsA:
19.29
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		 5wx3 ALKYLDIKETIDE-COA
SYNTHASE
(Tetradium
ruticarpum) 		4 / 4 GLY A 300
VAL A 303
GLY A 368
THR A 372
 COA  A 401 ( 3.7A)
None
None
None
 0.86A 3ib2A-5wx3A:
undetectable		 3ib2A-5wx3A:
19.81
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.
3JAY_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 ILE A 177
GLY A 178
GLY A 179
ALA A 247
PRO A 124
 None
None
None
None
COA  A 901 (-4.1A)
 1.05A 3jayA-1cqjA:
0.0		 3jayA-1cqjA:
14.94
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.
3JB2_A_SAMA1102_0
(STRUCTURAL PROTEIN
VP3)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 ILE A 177
GLY A 178
GLY A 179
ALA A 247
PRO A 124
 None
None
None
None
COA  A 901 (-4.1A)
 1.00A 3jb2A-1cqjA:
0.0		 3jb2A-1cqjA:
14.94
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.
3K13_A_THHA642_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		3 / 3 ASN A 162
ASP A 168
ARG A  83
 None
None
COA  A 601 (-3.6A)
 0.88A 3k13A-1n71A:
undetectable		 3k13A-1n71A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		3 / 3 ASN A 162
ASP A 168
ARG A  83
 None
None
COA  A 601 (-3.6A)
 0.93A 3k13C-1n71A:
undetectable		 3k13C-1n71A:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K9F_F_LFXF0_1
(DNA TOPOISOMERASE 4
SUBUNIT A
DNA TOPOISOMERASE 4
SUBUNIT B)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 5 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 1.18A 3k9fA-3fbuA:
undetectable
3k9fB-3fbuA:
undetectable
3k9fC-3fbuA:
undetectable		 3k9fA-3fbuA:
15.85
3k9fB-3fbuA:
15.85
3k9fC-3fbuA:
20.75
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.
3KKZ_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 239
GLY A 219
LEU A 238
LEU A 249
ALA A 173
 COA  A1314 (-3.5A)
None
COA  A1314 (-4.5A)
COA  A1314 (-4.9A)
COA  A1314 (-4.1A)
 1.05A 3kkzA-2c27A:
undetectable		 3kkzA-2c27A:
20.58
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.
3KP3_B_AICB2002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		 3ld2 PUTATIVE
ACETYLTRANSFERASE
(Streptococcus
mutans) 		3 / 3 ALA A  95
ARG A  94
LYS A 128
 None
None
COA  A 164 (-2.9A)
 1.04A 3kp3B-3ld2A:
undetectable		 3kp3B-3ld2A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 TYR A 209
LEU A 204
ALA A 216
GLY A 234
SER A 236
 None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
COA  A 403 (-3.1A)
 0.98A 3ln1A-4q38A:
undetectable		 3ln1A-4q38A:
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
 0.89A 3ln1A-4q38A:
undetectable		 3ln1A-4q38A:
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.
3LN1_A_CELA682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		5 / 12 LEU A  26
ALA A 118
GLY A 179
ALA A 262
SER A 264
 None
COA  A 301 (-3.3A)
None
None
None
 1.06A 3ln1A-6bc5A:
undetectable		 3ln1A-6bc5A:
8.50
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 TYR A 209
LEU A 204
ALA A 216
GLY A 234
SER A 236
 None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
COA  A 403 (-3.1A)
 1.00A 3ln1B-4q38A:
undetectable		 3ln1B-4q38A:
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
 0.91A 3ln1B-4q38A:
undetectable		 3ln1B-4q38A:
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.
3LN1_B_CELB682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		5 / 12 LEU A  26
ALA A 118
GLY A 179
ALA A 262
SER A 264
 None
COA  A 301 (-3.3A)
None
None
None
 1.05A 3ln1B-6bc5A:
undetectable		 3ln1B-6bc5A:
8.50
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 TYR A 209
LEU A 204
ALA A 216
GLY A 234
SER A 236
 None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
COA  A 403 (-3.1A)
 0.98A 3ln1C-4q38A:
undetectable		 3ln1C-4q38A:
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
 0.89A 3ln1C-4q38A:
undetectable		 3ln1C-4q38A:
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.
3LN1_C_CELC682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		5 / 12 LEU A  26
ALA A 118
GLY A 179
ALA A 262
SER A 264
 None
COA  A 301 (-3.3A)
None
None
None
 1.04A 3ln1C-6bc5A:
undetectable		 3ln1C-6bc5A:
8.50
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.
3LN1_D_CELD682_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 12 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
 0.90A 3ln1D-4q38A:
undetectable		 3ln1D-4q38A:
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.
3LTW_A_HLZA300_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 PHE A  38
CYH A  69
VAL A  94
PHE A 216
 COA  A1001 (-4.4A)
COA  A1001 (-2.6A)
COA  A1001 ( 4.7A)
COA  A1001 (-3.7A)
 0.38A 3ltwA-3lnbA:
30.7		 3ltwA-3lnbA:
28.15
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.
3LTW_A_HLZA300_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4ag9 GLUCOSAMINE-6-PHOSPH
ATE
N-ACETYLTRANSFERASE
(Caenorhabditis
elegans) 		4 / 6 PHE A 152
TYR A 149
VAL A 108
PHE A 148
 None
None
COA  A1166 ( 4.8A)
COA  A1166 (-4.0A)
 1.38A 3ltwA-4ag9A:
undetectable		 3ltwA-4ag9A:
20.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LTW_A_HLZA300_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4nv7 ARYLAMINE
N-ACETYLTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 6 TYR A  72
CYH A  73
VAL A  98
PHE A 204
 COA  A 301 ( 4.4A)
COA  A 301 (-2.5A)
COA  A 301 ( 4.9A)
COA  A 301 ( 4.8A)
 0.34A 3ltwA-4nv7A:
39.3		 3ltwA-4nv7A:
38.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3LTW_A_HLZA302_1
(ARYLAMINE
N-ACETYLTRANSFERASE
NAT)		 4nv7 ARYLAMINE
N-ACETYLTRANSFERASE
(Mesorhizobium
japonicum) 		4 / 6 GLU A 152
PRO A 153
ARG A 218
HIS A 229
 COA  A 301 (-3.7A)
None
None
COA  A 301 (-3.4A)
 0.27A 3ltwA-4nv7A:
39.3		 3ltwA-4nv7A:
38.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		 4n6b SERINE
ACETYLTRANSFERASE
APOENZYME
(Glycine
max) 		5 / 12 ALA A 247
THR A 246
ALA A 229
ALA A 233
GLY A 214
 None
COA  A 300 (-3.7A)
None
COA  A 300 (-3.7A)
COA  A 300 ( 4.0A)
 0.85A 3mg0Y-4n6bA:
undetectable
3mg0Z-4n6bA:
undetectable		 3mg0Y-4n6bA:
22.56
3mg0Z-4n6bA:
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 2d5a HYPOTHETICAL PROTEIN
PH1109
(Pyrococcus
horikoshii) 		5 / 12 GLY A  29
VAL A  41
MET A 133
LEU A  45
ILE A  78
 COA  A 200 (-3.4A)
None
None
None
None
 1.27A 3mnoA-2d5aA:
undetectable		 3mnoA-2d5aA:
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		 2d5a HYPOTHETICAL PROTEIN
PH1109
(Pyrococcus
horikoshii) 		5 / 12 GLY A  29
VAL A  41
MET A 133
LEU A  45
ILE A  78
 COA  A 200 (-3.4A)
None
None
None
None
 1.27A 3mnpA-2d5aA:
undetectable		 3mnpA-2d5aA:
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.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		 3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT
(Homo
sapiens) 		5 / 12 VAL A  11
LEU A   8
ILE A  88
LEU A  22
LEU A  19
 None
None
COA  A 201 (-4.2A)
None
None
 0.78A 3n8yB-3tfyA:
undetectable		 3n8yB-3tfyA:
14.60
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 ASN A 306
THR A 451
GLY A 401
GLY A 400
SER A 406
 COA  A2600 ( 4.8A)
None
COA  A2600 ( 4.5A)
COA  A2600 ( 4.5A)
None
 1.02A 3nk7A-2ahwA:
undetectable		 3nk7A-2ahwA:
21.93
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.
3NRR_A_D16A530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5csl ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		5 / 12 ALA A1746
SER A1789
ILE A1754
ASN A1774
GLY A1736
 None
None
None
COA  A2303 ( 4.7A)
None
 1.23A 3nrrA-5cslA:
undetectable		 3nrrA-5cslA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B530_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 5csl ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		5 / 12 ALA A1746
SER A1789
ILE A1754
ASN A1774
GLY A1736
 None
None
None
COA  A2303 ( 4.7A)
None
 1.23A 3nrrB-5cslA:
undetectable		 3nrrB-5cslA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NV6_A_CAMA422_0
(CYTOCHROME P450)		 1d6h CHALCONE SYNTHASE
(Medicago
sativa) 		3 / 3 GLY A 305
ILE A 274
VAL A 275
 COA  A 390 (-4.6A)
None
None
 0.52A 3nv6A-1d6hA:
0.0		 3nv6A-1d6hA:
23.30
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.
3ONN_A_ACTA270_0
(PROTEIN SSM1)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		4 / 5 LEU A  20
SER A  80
ARG A  83
LEU A  23
 None
None
COA  A 601 (-3.6A)
None
 1.35A 3onnA-1n71A:
undetectable		 3onnA-1n71A:
23.62
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		 4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN
(Escherichia
coli) 		5 / 10 ALA A  58
VAL A  31
ILE A  14
GLY A  55
VAL A  79
 None
None
None
None
COA  A 200 (-4.4A)
 1.09A 3oxvB-4rs2A:
undetectable		 3oxvB-4rs2A:
19.67
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.
3OXV_C_478C200_2
(HIV-1 PROTEASE)		 4rs2 PREDICTED
ACYLTRANSFERASE WITH
ACYL-COA
N-ACYLTRANSFERASE
DOMAIN
(Escherichia
coli) 		5 / 11 ALA A  58
VAL A  31
ILE A  14
GLY A  55
VAL A  79
 None
None
None
None
COA  A 200 (-4.4A)
 1.04A 3oxvD-4rs2A:
undetectable		 3oxvD-4rs2A:
19.67
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.
3P4W_C_DSFC320_1
(GLR4197 PROTEIN)		 5xuk HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Helicobacter
pylori) 		4 / 8 ILE A  82
ILE A  72
VAL A 112
ILE A 101
 None
None
None
COA  A 201 (-3.9A)
 0.81A 3p4wC-5xukA:
undetectable		 3p4wC-5xukA:
15.33
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.
3PFG_A_SAMA264_1
(N-METHYLTRANSFERASE)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		3 / 3 TYR A 138
TYR A  62
GLU A 171
 None
COA  A 301 (-4.7A)
None
 0.83A 3pfgA-5ht0A:
undetectable		 3pfgA-5ht0A:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGH_B_FLPB701_1
(CYCLOOXYGENASE-2)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		5 / 11 VAL A  96
LEU A  99
LEU A 125
VAL A  81
GLY A  83
 COA  A 600 (-3.8A)
None
None
None
KAN  A 500 (-3.7A)
 1.25A 3pghB-1m4iA:
0.0		 3pghB-1m4iA:
15.51
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 ASP A 327
LEU A 326
ILE A 288
PRO A 285
 None
None
None
COA  A 500 ( 4.5A)
 1.09A 3s3vA-2d52A:
undetectable		 3s3vA-2d52A:
17.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		4 / 5 LEU A 106
LEU A 121
GLY A 120
GLY A  99
 None
None
None
COA  A 760 ( 4.0A)
 0.75A 3si7C-2x58A:
undetectable
3si7D-2x58A:
undetectable		 3si7C-2x58A:
18.23
3si7D-2x58A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 LEU A 122
LEU A 139
GLY A 138
GLY A 115
 None
None
None
COA  A1730 ( 3.9A)
 0.78A 3si7C-4b3iA:
undetectable
3si7D-4b3iA:
undetectable		 3si7C-4b3iA:
17.36
3si7D-4b3iA:
17.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_D_ACTD4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		 5zai -
(-) 		4 / 5 LEU A 116
LEU A 131
GLY A 130
GLY A 109
 None
None
None
COA  A 301 ( 4.2A)
 0.80A 3si7C-5zaiA:
undetectable
3si7D-5zaiA:
undetectable		 3si7C-5zaiA:
undetectable
3si7D-5zaiA:
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.
3SUE_C_SUEC1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		 3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE
(Acetobacter
aceti) 		5 / 12 GLY A  48
VAL A  22
GLY A 408
SER A  75
ALA A 404
 None
COA  A2001 ( 4.9A)
None
None
None
 1.10A 3sueC-3ubmA:
undetectable		 3sueC-3ubmA:
18.22
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.
3SUE_D_SUED1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		 5frd CARBOXYLESTERASE
(EST-2)
(Archaeoglobus
fulgidus) 		3 / 3 TYR A 207
LEU A  98
LYS A  97
 COA  A1257 (-3.4A)
None
None
 0.71A 3sueD-5frdA:
undetectable		 3sueD-5frdA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		4 / 7 GLY A  41
PRO A  40
ASN A  54
GLY A  14
 None
COA  A 901 (-4.4A)
None
COA  A 901 (-3.6A)
 0.84A 3tajA-1cqjA:
undetectable		 3tajA-1cqjA:
21.31
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		 3sqz PUTATIVE
HYDROXYMETHYLGLUTARY
L-COA SYNTHASE
(Streptococcus
mutans) 		5 / 6 PRO A 188
TYR A 143
VAL A 196
THR A 192
THR A 191
 None
COA  A 601 (-4.3A)
None
None
None
 1.15A 3tneA-3sqzA:
undetectable		 3tneA-3sqzA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		5 / 10 GLY A 179
ALA A 180
ASP A 183
GLY A 117
ILE A 119
 None
COA  A 301 ( 3.9A)
COA  A 301 ( 4.7A)
COA  A 301 (-3.2A)
None
 0.88A 3ttpA-6bc5A:
undetectable		 3ttpA-6bc5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 2nyg YOKD PROTEIN
(Bacillus
subtilis) 		6 / 10 GLY A 175
ALA A 176
GLY A 113
ILE A 115
PRO A  69
LEU A  34
 None
COA  A 301 (-3.0A)
COA  A 301 (-3.2A)
None
None
None
 1.41A 3ttpB-2nygA:
undetectable		 3ttpB-2nygA:
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.
3TTP_A_017A201_2
(HIV-1 PROTEASE)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		5 / 10 GLY A 179
ALA A 180
ASP A 183
GLY A 117
ILE A 119
 None
COA  A 301 ( 3.9A)
COA  A 301 ( 4.7A)
COA  A 301 (-3.2A)
None
 0.92A 3ttpB-6bc5A:
undetectable		 3ttpB-6bc5A:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TTR_A_LQZA90_1
(LACTOTRANSFERRIN)		 1y7u ACYL-COA HYDROLASE
(Bacillus
cereus) 		3 / 3 PRO A 130
THR A  91
LEU A 122
 None
COA  A 201 (-3.9A)
None
 0.78A 3ttrA-1y7uA:
undetectable		 3ttrA-1y7uA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U9F_L_CLML221_0
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 12 PHE A 238
HIS A 159
PHE A 324
SER A 252
LEU A 147
 None
COA  A1001 (-4.5A)
COA  A1001 (-4.6A)
COA  A1001 (-3.7A)
None
 1.43A 3u9fJ-1wl4A:
0.2
3u9fL-1wl4A:
0.3		 3u9fJ-1wl4A:
22.99
3u9fL-1wl4A:
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.
3UFN_A_ROCA401_2
(HIV-1 PROTEASE)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		4 / 7 VAL A 235
GLY A 257
ILE A 256
VAL A 240
 None
None
None
COA  A1314 (-4.0A)
 0.82A 3ufnB-2c27A:
undetectable		 3ufnB-2c27A:
18.39
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.
3UY4_A_PAUA302_0
(PANTOTHENATE
SYNTHETASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		4 / 8 GLN A  50
HIS A  49
VAL A  46
VAL A  18
 None
None
None
COA  A 500 (-4.0A)
 1.04A 3uy4A-1q6yA:
3.4		 3uy4A-1q6yA:
21.16
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 8 GLY A 386
GLY A 385
MET A 293
GLY A 296
VAL A 286
 None
CSO  A  92 ( 4.1A)
COA  A1001 (-4.5A)
None
None
 1.11A 3v1nA-1wl4A:
undetectable		 3v1nA-1wl4A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 8 GLY A 386
MET A 293
GLY A 296
ILE A 390
VAL A 286
 None
COA  A1001 (-4.5A)
None
None
None
 1.25A 3v1nA-1wl4A:
undetectable		 3v1nA-1wl4A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_C_VIVC301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 ILE A 315
VAL A 373
LEU A 462
ILE A 405
VAL A 387
 None
None
None
COA  A2600 (-4.6A)
None
 1.15A 3w67C-2ahwA:
undetectable		 3w67C-2ahwA:
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.
3W68_B_VIVB301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 ILE A 315
VAL A 373
LEU A 462
ILE A 405
VAL A 387
 None
None
None
COA  A2600 (-4.6A)
None
 1.14A 3w68B-2ahwA:
undetectable		 3w68B-2ahwA:
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.
3ZOS_A_0LIA1004_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3ntd FAD-DEPENDENT
PYRIDINE
NUCLEOTIDE-DISULPHID
E OXIDOREDUCTASE
(Shewanella
loihica) 		5 / 11 GLY A  12
ILE A   4
PHE A  71
VAL A 305
GLY A 328
 FAD  A 900 (-3.6A)
None
COA  A 901 ( 4.9A)
None
None
 0.98A 3zosA-3ntdA:
undetectable
3zosB-3ntdA:
undetectable		 3zosA-3ntdA:
22.18
3zosB-3ntdA:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_A_ZPCA1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		4 / 7 TYR A  30
VAL A 122
ILE A 130
ASN A 126
 COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
 1.09A 4a97E-3wr7A:
undetectable		 4a97E-3wr7A:
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.
4A97_D_ZPCD1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		4 / 8 TYR A  30
VAL A 122
ILE A 130
ASN A 126
 COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
 1.05A 4a97C-3wr7A:
undetectable		 4a97C-3wr7A:
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.
4A97_E_ZPCE1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		4 / 8 TYR A  30
VAL A 122
ILE A 130
ASN A 126
 COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
 1.04A 4a97D-3wr7A:
undetectable		 4a97D-3wr7A:
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.
4A97_H_ZPCH1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		4 / 8 TYR A  30
VAL A 122
ILE A 130
ASN A 126
 COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
 1.07A 4a97G-3wr7A:
undetectable		 4a97G-3wr7A:
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.
4A97_I_ZPCI1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		4 / 7 TYR A  30
VAL A 122
ILE A 130
ASN A 126
 COA  A 202 (-3.4A)
COA  A 202 ( 4.8A)
None
COA  A 202 ( 4.7A)
 1.11A 4a97H-3wr7A:
undetectable		 4a97H-3wr7A:
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.
4A97_J_ZPCJ1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 8 PHE A  90
VAL A  61
MET A   1
ILE A  10
 COA  A 169 (-4.6A)
None
None
None
 1.05A 4a97I-3fbuA:
undetectable		 4a97I-3fbuA:
19.67
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.
4APJ_A_ACTA1635_0
(ANGIOTENSIN-CONVERTI
NG ENZYME
BRADYKININ-POTENTIAT
ING PEPTIDE B)		 5cuo PHOSPHATE
PROPANOYLTRANSFERASE
(Rhodopseudomonas
palustris) 		4 / 6 HIS A 204
HIS A  48
GLU A 109
SER A 127
 ZN  A 502 ( 3.1A)
COA  A 501 ( 3.0A)
ZN  A 503 (-2.3A)
None
 1.41A 4apjA-5cuoA:
undetectable
4apjP-5cuoA:
undetectable		 4apjA-5cuoA:
16.13
4apjP-5cuoA:
8.79
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.99A 4coxA-4ubtA:
undetectable		 4coxA-4ubtA:
19.33
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.
4COX_B_IMNB701_1
(CYCLOOXYGENASE-2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 1.00A 4coxB-4ubtA:
undetectable		 4coxB-4ubtA:
19.33
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.
4COX_D_IMND701_1
(CYCLOOXYGENASE-2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.99A 4coxD-4ubtA:
undetectable		 4coxD-4ubtA:
19.33
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		 4psw HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT
(Saccharomyces
cerevisiae) 		4 / 4 LEU A 221
ILE A  23
GLY A 189
PHE A  63
 COA  A 401 ( 4.6A)
None
None
None
 1.06A 4dc3A-4pswA:
undetectable		 4dc3A-4pswA:
22.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 2oas 4-HYDROXYBUTYRATE
COENZYME A
TRANSFERASE
(Shewanella
oneidensis) 		5 / 12 PHE A  76
LEU A 219
ASP A 216
GLY A 212
ILE A 211
 COA  A 501 (-4.5A)
None
None
None
None
 1.44A 4djeA-2oasA:
undetectable		 4djeA-2oasA:
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.
4DJE_A_C2FA300_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		 5csl ACETYL-COA
CARBOXYLASE
(Saccharomyces
cerevisiae) 		5 / 12 MET A1564
ASP A1601
GLY A1734
SER A1732
ILE A1735
 None
None
COA  A2303 (-3.5A)
None
None
 1.42A 4djeA-5cslA:
undetectable		 4djeA-5cslA:
7.81
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.
4DTZ_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		4 / 6 ALA A 120
PRO A 119
LEU A 124
THR A 121
 COA  A 500 (-3.1A)
None
COA  A 500 (-3.5A)
COA  A 500 (-3.1A)
 0.91A 4dtzA-2ozgA:
undetectable		 4dtzA-2ozgA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DTZ_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 8C8)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		4 / 6 ALA A 120
PRO A 119
LEU A 124
THR A 121
 COA  A 500 (-3.1A)
None
COA  A 500 (-3.5A)
COA  A 500 (-3.1A)
 0.90A 4dtzB-2ozgA:
undetectable		 4dtzB-2ozgA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DU2_A_LDPA501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		4 / 7 ALA A 120
PRO A 119
LEU A 124
THR A 121
 COA  A 500 (-3.1A)
None
COA  A 500 (-3.5A)
COA  A 500 (-3.1A)
 0.88A 4du2A-2ozgA:
undetectable		 4du2A-2ozgA:
21.72
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.
4DU2_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT B7)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		4 / 7 ALA A 120
PRO A 119
LEU A 124
THR A 121
 COA  A 500 (-3.1A)
None
COA  A 500 (-3.5A)
COA  A 500 (-3.1A)
 0.90A 4du2B-2ozgA:
undetectable		 4du2B-2ozgA:
21.72
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.
4DUB_B_LDPB501_1
(CYTOCHROME P450 BM3
VARIANT 9D7)		 3qmn HOLO-[ACYL-CARRIER-P
ROTEIN] SYNTHASE
(Vibrio
cholerae) 		4 / 6 PHE A  76
ALA A  59
GLY A  66
LEU A  63
 None
None
COA  A 129 (-3.4A)
None
 0.86A 4dubB-3qmnA:
undetectable		 4dubB-3qmnA:
15.17
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		3 / 3 LYS A 246
THR A 239
ILE A 221
 COA  A1001 (-2.6A)
COA  A1001 (-3.9A)
COA  A1001 ( 3.8A)
 0.81A 4e0fB-3lnbA:
undetectable		 4e0fB-3lnbA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4E47_D_SAMD800_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP
(Bacillus
subtilis) 		5 / 10 ILE A 191
ALA A 203
GLU A 151
GLY A  97
LYS A 155
 None
None
COA  A 300 ( 2.7A)
None
COA  A 300 (-2.8A)
 1.38A 4e47D-1qr0A:
undetectable		 4e47D-1qr0A:
22.91
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.
4EIL_B_FOLB703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		 4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII
(Mycobacterium
ulcerans) 		5 / 10 ALA A 158
PHE A 173
SER A 130
LEU A 121
THR A 159
 None
COA  A 301 (-3.2A)
None
None
COA  A 301 ( 3.3A)
 1.49A 4eilB-4qjlA:
undetectable		 4eilB-4qjlA:
18.33
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.
4EJJ_B_NCTB501_1
(CYTOCHROME P450 2A6)		 3qdq 4-HYDROXYBUTYRATE
COA-TRANSFERASE
(Clostridium
aminobutyricum) 		4 / 7 PHE A 269
VAL A 291
ASN A 295
GLY A 335
 None
None
None
COA  A 500 ( 4.5A)
 0.99A 4ejjB-3qdqA:
undetectable		 4ejjB-3qdqA:
19.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EVY_A_TOYA201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		5 / 9 ARG A  18
TRP A  22
GLU A  79
GLY A  80
ASP A 115
 None
None
None
COA  A 600 ( 3.8A)
None
 0.64A 4evyA-1s5kA:
23.3
4evyB-1s5kA:
22.8		 4evyA-1s5kA:
43.79
4evyB-1s5kA:
43.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4EVY_B_TOYB201_1
(AMINOGLYCOSIDE
N(6')-ACETYLTRANSFER
ASE TYPE 1)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		5 / 10 ARG A  18
TRP A  22
GLU A  79
GLY A  80
ASP A 115
 None
None
None
COA  A 600 ( 3.8A)
None
 0.76A 4evyA-1s5kA:
23.3
4evyB-1s5kA:
22.8		 4evyA-1s5kA:
43.79
4evyB-1s5kA:
43.79
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.
4EYR_B_RITB301_1
(HIV-1 PROTEASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		4 / 7 LEU A 382
ASN A 321
ALA A 323
ILE A 146
 CSO  A  92 ( 3.9A)
None
COA  A1001 ( 3.8A)
None
 0.98A 4eyrA-1wl4A:
undetectable		 4eyrA-1wl4A:
15.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		 4psw HISTONE
ACETYLTRANSFERASE
TYPE B CATALYTIC
SUBUNIT
(Saccharomyces
cerevisiae) 		3 / 3 ARG A 267
TYR A 278
ASN A 318
 COA  A 401 (-3.2A)
None
None
 0.87A 4ffwB-4pswA:
2.5		 4ffwB-4pswA:
19.14
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.
4FGL_D_CLQD303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3ics COENZYME A-DISULFIDE
REDUCTASE
(Bacillus
anthracis) 		4 / 6 GLY A  14
GLY A  13
ASN A 306
ILE A 111
 None
FAD  A 555 (-3.5A)
COA  A 556 (-3.3A)
None
 0.94A 4fglD-3icsA:
undetectable		 4fglD-3icsA:
18.13
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.
4FJP_A_NPSA711_1
(LACTOTRANSFERRIN)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		4 / 6 GLY A  41
PRO A  40
ASN A  54
GLY A  14
 None
COA  A 901 (-4.4A)
None
COA  A 901 (-3.6A)
 0.86A 4fjpA-1cqjA:
undetectable		 4fjpA-1cqjA:
21.93
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		 3owc PROBABLE
ACETYLTRANSFERASE
(Pseudomonas
aeruginosa) 		4 / 5 LEU A  84
ARG A  66
ILE A  97
ASN A 137
 None
None
None
COA  A2598 (-3.3A)
 1.47A 4i00A-3owcA:
undetectable		 4i00A-3owcA:
17.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		 4qjk PHOSPHOPANTETHEINYL
TRANSFERASE PPTT
(Mycobacterium
tuberculosis) 		5 / 7 LYS A 156
LEU A 152
THR A 159
ALA A 155
THR A 223
 None
None
COA  A 301 ( 3.8A)
None
None
 1.48A 4ik7A-4qjkA:
undetectable		 4ik7A-4qjkA:
20.35
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		 4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA
(Escherichia
coli;
Mycobacterium
tuberculosis) 		5 / 7 LYS A 527
LEU A 523
THR A 530
ALA A 526
THR A 594
 None
None
COA  A 602 ( 4.4A)
None
None
 1.45A 4ik7A-4qvhA:
undetectable		 4ik7A-4qvhA:
13.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		 4u89 PHOSPHOPANTETHEINYL
TRANSFERASE PPTT
(Mycobacterium
tuberculosis) 		5 / 7 LYS A 156
LEU A 152
THR A 159
ALA A 155
THR A 223
 None
None
COA  A 301 ( 4.5A)
None
None
 1.46A 4ik7A-4u89A:
undetectable		 4ik7A-4u89A:
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.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		 3f5o THIOESTERASE
SUPERFAMILY MEMBER 2
(Homo
sapiens) 		5 / 12 LEU A  73
GLN A 109
ALA A 114
GLY A 139
LEU A 138
 None
None
None
COA  A 150 (-3.3A)
None
 1.18A 4j7xB-3f5oA:
undetectable		 4j7xB-3f5oA:
21.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
ILE A  28
TRP A  36
SER A  83
TYR A 126
GLU A 203
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-4.1A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-4.0A)
None
 0.93A 4jd6A-5tvjA:
61.2		 4jd6A-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
ILE A  28
TRP A  36
SER A  83
VAL A  85
GLU A 203
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-4.1A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-3.8A)
None
 0.62A 4jd6A-5tvjA:
61.2		 4jd6A-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_A_TOYA501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
TRP A  36
SER A  83
VAL A  85
GLU A 203
GLU A 401
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-3.8A)
None
7LF  A 502 (-3.3A)
 0.75A 4jd6A-5tvjA:
61.2		 4jd6A-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_B_TOYB501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
ILE A  28
TRP A  36
SER A  83
TYR A 126
GLU A 203
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-4.1A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-4.0A)
None
 0.90A 4jd6B-5tvjA:
61.2		 4jd6B-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_B_TOYB501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
ILE A  28
TRP A  36
SER A  83
VAL A  85
GLU A 203
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-4.1A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-3.8A)
None
 0.59A 4jd6B-5tvjA:
61.2		 4jd6B-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_B_TOYB501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
TRP A  36
SER A  83
TYR A 126
GLU A 203
GLU A 401
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-4.0A)
None
7LF  A 502 (-3.3A)
 1.00A 4jd6B-5tvjA:
61.2		 4jd6B-5tvjA:
98.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4JD6_B_TOYB501_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		7 / 9 PHE A  24
ASP A  26
TRP A  36
SER A  83
VAL A  85
GLU A 203
GLU A 401
 7LF  A 502 ( 3.9A)
7LF  A 502 (-3.5A)
7LF  A 502 (-3.9A)
7LF  A 502 (-3.5A)
COA  A 501 (-3.8A)
None
7LF  A 502 (-3.3A)
 0.68A 4jd6B-5tvjA:
61.2		 4jd6B-5tvjA:
98.60
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.
4JDS_D_SAMD401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP
(Bacillus
subtilis) 		5 / 11 ILE A 191
ALA A 203
GLU A 151
GLY A  97
LYS A 155
 None
None
COA  A 300 ( 2.7A)
None
COA  A 300 (-2.8A)
 1.34A 4jdsD-1qr0A:
undetectable		 4jdsD-1qr0A:
22.91
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.
4JLG_B_SAMB401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		 1qr0 4'-PHOSPHOPANTETHEIN
YL TRANSFERASE SFP
(Bacillus
subtilis) 		5 / 11 ILE A 191
ALA A 203
GLU A 151
GLY A  97
LYS A 155
 None
None
COA  A 300 ( 2.7A)
None
COA  A 300 (-2.8A)
 1.32A 4jlgB-1qr0A:
0.0		 4jlgB-1qr0A:
22.91
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.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 8 ASN A  62
ARG A  61
ASP A   9
ILE A 135
 None
COA  A 445 (-2.9A)
FAD  A 446 ( 3.5A)
None
 1.00A 4k0bA-3cgdA:
undetectable		 4k0bA-3cgdA:
23.26
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.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 TYR A 466
LEU A 462
VAL A 464
ILE A 412
LEU A 376
 None
None
None
None
COA  A2600 (-4.9A)
 1.44A 4k38A-2ahwA:
0.8
4k38D-2ahwA:
undetectable		 4k38A-2ahwA:
21.54
4k38D-2ahwA:
4.13
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.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 TYR A 466
LEU A 462
VAL A 464
ILE A 412
LEU A 376
 None
None
None
None
COA  A2600 (-4.9A)
 1.37A 4k38B-2ahwA:
1.2		 4k38B-2ahwA:
21.54
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.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		5 / 12 TYR A 466
LEU A 462
VAL A 464
ILE A 412
LEU A 376
 None
None
None
None
COA  A2600 (-4.9A)
 1.45A 4k39A-2ahwA:
undetectable		 4k39A-2ahwA:
21.54
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.
4L4E_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 1n71 AAC(6')-II
(Enterococcus
faecium) 		4 / 8 PHE A 146
TYR A 147
LEU A  73
VAL A  78
 COA  A 601 (-3.7A)
None
None
COA  A 601 (-4.1A)
 1.16A 4l4eA-1n71A:
0.0		 4l4eA-1n71A:
18.05
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.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		 3cgd PYRIDINE
NUCLEOTIDE-DISULFIDE
OXIDOREDUCTASE,
CLASS I
(Bacillus
anthracis) 		4 / 8 ASN A  62
ARG A  61
ASP A   9
ILE A 135
 None
COA  A 445 (-2.9A)
FAD  A 446 ( 3.5A)
None
 1.07A 4l7iA-3cgdA:
undetectable		 4l7iA-3cgdA:
23.26
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.
4L8F_D_MTXD301_1
(GAMMA-GLUTAMYL
HYDROLASE)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 11 GLY A 125
GLY A  67
LEU A  72
GLN A 205
HIS A 108
 None
None
None
None
COA  A1001 ( 4.1A)
 1.14A 4l8fD-3lnbA:
undetectable		 4l8fD-3lnbA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LA0_B_198B601_1
(SERUM ALBUMIN)		 2cg5 FATTY ACID SYNTHASE
L-AMINOADIPATE-SEMIA
LDEHYDE
DEHYDROGENASE-PHOSPH
OPANTETHEINYL
TRANSFERASE
(Homo
sapiens) 		5 / 9 LEU A 201
MET A 158
PHE A 162
PHE A 183
LEU B2157
 COA  A1300 (-3.9A)
None
None
None
None
 1.45A 4la0B-2cg5A:
0.5		 4la0B-2cg5A:
18.44
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.
4LG1_C_SAMC301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		5 / 12 ALA A  95
GLY A  85
GLY A  60
LEU A  22
ALA A  96
 COA  A 500 (-3.9A)
COA  A 500 (-3.5A)
None
None
COA  A 500 (-3.3A)
 1.13A 4lg1C-2ozgA:
undetectable		 4lg1C-2ozgA:
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.
4LTW_A_STRA301_1
(ANCESTRAL STEROID
RECEPTOR 2)		 1yvk HYPOTHETICAL PROTEIN
BSU33890
(Bacillus
subtilis) 		5 / 12 LEU A  18
LEU A  21
LEU A  24
ALA A  25
LEU A  84
 None
None
None
COA  A 201 (-3.6A)
None
 1.16A 4ltwA-1yvkA:
undetectable		 4ltwA-1yvkA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M11_A_MXMA606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		5 / 12 LEU A 104
ILE A  81
VAL A  84
LEU A 117
ALA A  96
 None
None
COA  A 500 (-3.8A)
None
COA  A 500 (-3.3A)
 1.44A 4m11A-2ozgA:
undetectable		 4m11A-2ozgA:
18.82
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.
4MBS_B_MRVB1101_2
(CHIMERA PROTEIN OF
C-C CHEMOKINE
RECEPTOR TYPE 5 AND
RUBREDOXIN)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 5 TYR A  34
THR A 143
LEU A 144
THR A  72
 None
None
COA  A1730 ( 4.8A)
SO4  A1726 (-4.0A)
 1.43A 4mbsB-4b3iA:
undetectable		 4mbsB-4b3iA:
19.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MFL_B_GCSB502_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
TEICOPLANIN
PSEUDOAGLYCONE)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 6 GLN A 142
MET A 161
TRP A 163
TRP A 164
PHE A 281
 TEC  A 404 ( 4.0A)
TEC  A 404 (-4.3A)
TEC  A 404 (-4.6A)
TEC  A 404 (-3.7A)
COA  A 403 (-3.4A)
 0.66A 4mflA-4q38A:
51.3		 4mflA-4q38A:
97.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MFP_B_GCSB503_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
TEICOPLANIN
PSEUDOAGLYCONE)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 5 GLN A 142
MET A 161
TRP A 163
TRP A 164
PHE A 281
 TEC  A 404 ( 4.0A)
TEC  A 404 (-4.3A)
TEC  A 404 (-4.6A)
TEC  A 404 (-3.7A)
COA  A 403 (-3.4A)
 0.34A 4mfpA-4q38A:
50.5		 4mfpA-4q38A:
97.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MFQ_B_GCSB503_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
TEICOPLANIN
PSEUDOAGLYCONE)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 6 GLN A 142
MET A 161
TRP A 163
TRP A 164
PHE A 281
 TEC  A 404 ( 4.0A)
TEC  A 404 (-4.3A)
TEC  A 404 (-4.6A)
TEC  A 404 (-3.7A)
COA  A 403 (-3.4A)
 0.73A 4mfqA-4q38A:
50.8		 4mfqA-4q38A:
97.68
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.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 8 ILE A  51
GLU A  71
GLN A 205
LEU A  68
 None
None
None
COA  A1001 ( 4.4A)
 0.86A 4mj8A-3lnbA:
undetectable		 4mj8A-3lnbA:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		7 / 8 TRP A  31
GLU A  33
GLU A  74
GLU A  83
GLN A  85
ILE A  86
LEU A 120
 COA  A 202 (-4.8A)
SPD  A 201 (-3.9A)
None
None
COA  A 202 ( 4.7A)
COA  A 202 (-4.1A)
COA  A 202 ( 4.6A)
 0.87A 4mj8A-3wr7A:
28.7		 4mj8A-3wr7A:
57.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		 3fsc QDTC
(Thermoanaerobact
erium
thermosaccharoly
ticum) 		6 / 12 ALA A 180
ILE A 221
GLY A 215
ALA A 201
ALA A 195
VAL A 212
 COA  A 300 (-3.3A)
None
COA  A 300 ( 4.2A)
None
None
None
 1.46A 4nkxB-3fscA:
undetectable		 4nkxB-3fscA:
20.52
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.
4O5F_A_PAUA301_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 0.98A 4o5fA-1eblA:
undetectable
4o5fB-1eblA:
undetectable		 4o5fA-1eblA:
25.45
4o5fB-1eblA:
25.45
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.
4O5F_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.00A 4o5fA-1eblA:
undetectable
4o5fB-1eblA:
undetectable		 4o5fA-1eblA:
25.45
4o5fB-1eblA:
25.45
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.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 3owc PROBABLE
ACETYLTRANSFERASE
(Pseudomonas
aeruginosa) 		5 / 12 ARG A 104
ASN A 137
ALA A 139
LEU A 143
TYR A 144
 COA  A2598 (-3.6A)
COA  A2598 (-3.3A)
COA  A2598 ( 4.0A)
COA  A2598 ( 4.5A)
None
 0.52A 4oadA-3owcA:
20.1		 4oadA-3owcA:
24.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OAD_A_CLMA205_0
(GNAT SUPERFAMILY
ACETYLTRANSFERASE
PA4794)		 5k04 N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3
(Candida
albicans) 		5 / 12 PRO B  22
ASN B 117
GLY B 120
LEU B 123
TYR B 124
 None
COA  B 202 (-4.2A)
COA  B 202 ( 3.8A)
COA  B 202 (-2.9A)
MES  B 201 (-4.5A)
 1.28A 4oadA-5k04B:
15.6		 4oadA-5k04B:
26.78
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.
4OLB_A_TRPA901_0
(PROTEIN ARGONAUTE-2)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		3 / 3 VAL A  84
ALA A  82
PHE A  30
 COA  A 500 (-3.8A)
None
COA  A 500 ( 4.5A)
 0.91A 4olbA-2ozgA:
undetectable		 4olbA-2ozgA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTW_A_DB8A1101_2
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		3 / 3 LEU A 317
LEU A 184
ASN A 310
 None
None
COA  A3000 (-3.3A)
 0.62A 4otwA-1aj8A:
0.7		 4otwA-1aj8A:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.93A 4otyA-4ubtA:
undetectable		 4otyA-4ubtA:
19.33
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.
4OTY_B_LURB705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.96A 4otyB-4ubtA:
undetectable		 4otyB-4ubtA:
19.33
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.
4P65_K_IPHK101_0
(INSULIN)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		6 / 12 LEU A 104
VAL A  84
LEU A  99
ILE A  81
LEU A 124
ALA A 128
 None
COA  A 500 (-3.8A)
None
None
COA  A 500 (-3.5A)
None
 1.48A 4p65F-2ozgA:
undetectable
4p65H-2ozgA:
undetectable
4p65K-2ozgA:
undetectable
4p65L-2ozgA:
undetectable		 4p65F-2ozgA:
7.39
4p65H-2ozgA:
7.39
4p65K-2ozgA:
5.59
4p65L-2ozgA:
7.39
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.
4PAE_A_NIZA804_1
(CATALASE-PEROXIDASE)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 6 PHE A  38
ASP A 123
LEU A  72
HIS A 108
 COA  A1001 (-4.4A)
None
None
COA  A1001 ( 4.1A)
 1.25A 4paeA-3lnbA:
undetectable		 4paeA-3lnbA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q1X_A_017A101_1
(ASPARTYL PROTEASE)		 4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE
(Homo
sapiens) 		5 / 11 ASP A 137
GLY A 116
ALA A 115
ILE A 163
ILE A  40
 None
COA  A 402 (-3.5A)
NAP  A 401 (-3.2A)
NAP  A 401 (-4.6A)
NAP  A 401 (-4.0A)
 0.89A 4q1xA-4fc7A:
undetectable		 4q1xA-4fc7A:
15.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4Q36_A_GCSA404_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		5 / 5 MET A 161
TRP A 163
TRP A 164
HIS A 196
PHE A 281
 TEC  A 404 (-4.3A)
TEC  A 404 (-4.6A)
TEC  A 404 (-3.7A)
TEC  A 404 (-4.1A)
COA  A 403 (-3.4A)
 0.13A 4q36A-4q38A:
50.9		 4q36A-4q38A:
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.
4QB9_D_PARD500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA
(Escherichia
coli;
Mycobacterium
tuberculosis) 		4 / 8 PHE A 423
GLU A 528
ASP A 485
TYR A 468
 None
COA  A 602 (-2.8A)
COA  A 602 ( 2.7A)
None
 1.43A 4qb9D-4qvhA:
undetectable		 4qb9D-4qvhA:
21.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4QB9_E_PARE500_1
(ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN)		 5tvj ENHANCED
INTRACELLULAR
SURVIVAL PROTEIN
(Mycobacterium
tuberculosis) 		5 / 12 SER A  83
LEU A 118
SER A 121
TYR A 126
ASP A 292
 7LF  A 502 (-3.5A)
COA  A 501 ( 4.8A)
COA  A 501 ( 4.4A)
COA  A 501 (-4.0A)
None
 0.75A 4qb9E-5tvjA:
50.7		 4qb9E-5tvjA:
60.42
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE
(Homo
sapiens) 		5 / 12 GLY A  35
GLY A  37
SER A  61
ILE A  40
ARG A  88
 NAP  A 401 (-3.5A)
NAP  A 401 ( 4.9A)
NAP  A 401 (-4.4A)
NAP  A 401 (-4.0A)
COA  A 402 ( 2.8A)
 1.13A 4qtuB-4fc7A:
6.4		 4qtuB-4fc7A:
24.15
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.
4QTU_B_SAMB301_1
(PUTATIVE
METHYLTRANSFERASE
BUD23)		 2d52 PENTAKETIDE CHROMONE
SYNTHASE
(Aloe
arborescens) 		4 / 5 TYR A 178
GLN A 175
SER A 145
ASP A 220
 None
None
None
COA  A 500 (-4.9A)
 1.10A 4qtuB-2d52A:
undetectable		 4qtuB-2d52A:
19.56
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.
4QZT_A_ACTA202_0
(RETINOL-BINDING
PROTEIN 2)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		4 / 6 TYR A 225
THR A 298
LEU A  59
GLN A 189
 COA  A1383 (-4.1A)
None
None
None
 1.23A 4qztA-2vatA:
undetectable		 4qztA-2vatA:
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.
4R82_A_ACTA205_0
(OXIDOREDUCTASE)		 1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE
(Escherichia
coli) 		4 / 5 SER A  20
GLY A  21
GLU A  94
PHE A  92
 COA  A 501 ( 4.0A)
None
None
None
 1.33A 4r82A-1xvtA:
undetectable
4r82B-1xvtA:
undetectable		 4r82A-1xvtA:
20.34
4r82B-1xvtA:
20.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R87_J_SPMJ202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		6 / 7 MET A  28
TRP A  31
GLU A  33
TYR A  36
GLU A  37
GLU A  41
 None
COA  A 202 (-4.8A)
SPD  A 201 (-3.9A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.76A 4r87J-3wr7A:
28.0
4r87L-3wr7A:
27.9		 4r87J-3wr7A:
57.06
4r87L-3wr7A:
57.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4R87_K_SPMK202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		 3wr7 SPERMIDINE
N1-ACETYLTRANSFERASE
(Escherichia
coli) 		7 / 9 MET A  28
TRP A  31
GLU A  33
GLU A  34
TYR A  36
GLU A  37
GLU A  41
 None
COA  A 202 (-4.8A)
SPD  A 201 (-3.9A)
SPD  A 201 (-4.0A)
SPD  A 201 (-4.6A)
None
SPD  A 201 (-3.1A)
 0.80A 4r87I-3wr7A:
28.3
4r87K-3wr7A:
28.4		 4r87I-3wr7A:
57.06
4r87K-3wr7A:
57.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RRW_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.94A 4rrwC-4ubtA:
undetectable		 4rrwC-4ubtA:
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.
4RRW_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.97A 4rrwD-4ubtA:
undetectable		 4rrwD-4ubtA:
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.
4RRZ_C_LURC705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.94A 4rrzC-4ubtA:
undetectable		 4rrzC-4ubtA:
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.
4RRZ_D_LURD705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.97A 4rrzD-4ubtA:
undetectable		 4rrzD-4ubtA:
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.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		5 / 12 TYR A 313
ILE A 307
ALA A 272
VAL A 298
ILE A 257
 None
COA  A3000 (-4.4A)
None
None
COA  A3000 (-4.0A)
 0.95A 4rvdA-1aj8A:
undetectable		 4rvdA-1aj8A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 1aj8 CITRATE SYNTHASE
(Pyrococcus
furiosus) 		5 / 12 TYR A 313
ILE A 307
ALA A 272
VAL A 298
ILE A 257
 None
COA  A3000 (-4.4A)
None
None
COA  A3000 (-4.0A)
 0.93A 4rvgA-1aj8A:
undetectable		 4rvgA-1aj8A:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVG_A_SAMA503_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		5 / 12 ILE A 119
GLY A 120
ASN A 122
PRO A 183
ILE A 190
 None
None
COA  A 901 (-4.7A)
None
None
 1.12A 4rvgA-1cqjA:
4.6		 4rvgA-1cqjA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		 5jph ACETYLTRANSFERASE
SACOL1063
(Staphylococcus
aureus) 		5 / 9 LEU A  93
ARG A  57
THR A  55
LEU A  44
ILE A  45
 None
COA  A 201 (-3.8A)
CL  A 203 (-3.8A)
None
None
 1.23A 4ubsA-5jphA:
undetectable		 4ubsA-5jphA:
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 HIS A 244
ALA A 246
GLY A 306
GLY A 311
LEU A 220
 COA  A1350 (-4.4A)
COA  A1350 ( 3.7A)
None
None
None
 1.11A 4uilH-1eblA:
undetectable
4uilL-1eblA:
undetectable		 4uilH-1eblA:
20.94
4uilL-1eblA:
19.51
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		5 / 12 HIS A 243
ALA A 245
GLY A 305
GLY A 310
LEU A 219
 SCY  A 112 (-3.8A)
COA  A 401 (-3.3A)
SCY  A 112 ( 3.8A)
None
None
 1.03A 4uilH-4nhdA:
undetectable
4uilL-4nhdA:
undetectable		 4uilH-4nhdA:
19.81
4uilL-4nhdA:
21.54
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.
4V1F_B_BQ1B1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		 1tiq PROTEASE SYNTHASE
AND SPORULATION
NEGATIVE REGULATORY
PROTEIN PAI 1
(Bacillus
subtilis) 		5 / 8 ALA A 140
ALA A 138
ILE A 139
ALA A 168
LEU A 165
 COA  A 301 (-3.2A)
COA  A 301 ( 3.7A)
None
None
None
 1.30A 4v1fA-1tiqA:
undetectable
4v1fB-1tiqA:
undetectable		 4v1fA-1tiqA:
16.09
4v1fB-1tiqA:
16.09
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.
4W5N_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		3 / 3 VAL A  84
ALA A  82
PHE A  30
 COA  A 500 (-3.8A)
None
COA  A 500 ( 4.5A)
 0.92A 4w5nA-2ozgA:
undetectable		 4w5nA-2ozgA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		 2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
graminearum) 		4 / 8 ARG A 335
VAL A 259
ASP A 262
ASP A 263
 COA  A 452 (-2.9A)
None
COA  A 452 ( 3.6A)
COA  A 452 ( 4.3A)
 1.16A 4xqgA-2rkvA:
undetectable		 4xqgA-2rkvA:
21.54
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.
4XQG_B_AG2B505_1
(HOMOSPERMIDINE
SYNTHASE)		 2rkv TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E
(Fusarium
graminearum) 		4 / 8 ARG A 335
VAL A 259
ASP A 262
ASP A 263
 COA  A 452 (-2.9A)
None
COA  A 452 ( 3.6A)
COA  A 452 ( 4.3A)
 1.16A 4xqgB-2rkvA:
undetectable		 4xqgB-2rkvA:
21.54
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.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3ddd PUTATIVE
ACETYLTRANSFERASE
(Pyrococcus
horikoshii) 		4 / 7 GLU A  54
ILE A  17
LEU A 114
ILE A  84
 None
None
COA  A 300 (-4.1A)
COA  A 300 ( 4.6A)
 0.87A 4xumA-3dddA:
undetectable		 4xumA-3dddA:
20.98
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.
4Y03_B_SALB801_1
(PROTEIN POLYBROMO-1)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		4 / 5 LEU A 189
ALA A 246
ASN A 247
ILE A 250
 COA  A1350 ( 4.8A)
COA  A1350 ( 3.7A)
COA  A1350 (-2.8A)
COA  A1350 (-3.2A)
 0.94A 4y03B-1eblA:
undetectable		 4y03B-1eblA:
16.23
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.
4Y03_B_SALB801_1
(PROTEIN POLYBROMO-1)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		4 / 5 LEU A 260
ALA A 220
ASN A  40
ILE A 221
 None
None
None
COA  A1001 ( 3.8A)
 1.18A 4y03B-3lnbA:
undetectable		 4y03B-3lnbA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y1D_D_DVAD5_0
(CYCLIC HEXAPEPTIDE
CYC[NDPOPPKID]
INTEGRASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		3 / 3 GLU A 360
LYS A 226
ASN A 359
 None
COA  A1383 (-2.8A)
None
 1.11A 4y1dA-2vatA:
undetectable
4y1dD-2vatA:
undetectable		 4y1dA-2vatA:
18.49
4y1dD-2vatA:
5.15
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.
4Y8W_B_STRB603_1
(CYTOCHROME P450
21-HYDROXYLASE)		 4n6b SERINE
ACETYLTRANSFERASE
APOENZYME
(Glycine
max) 		5 / 12 VAL A 241
SER A 235
VAL A 211
LEU A 212
GLY A 214
 None
None
None
None
COA  A 300 ( 4.0A)
 1.11A 4y8wB-4n6bA:
undetectable		 4y8wB-4n6bA:
19.60
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.
4YPM_A_BO2A801_1
(LON PROTEASE)		 5hh0 N-ALPHA-ACETYLTRANSF
ERASE 60
(Homo
sapiens) 		5 / 12 ALA A  56
THR A  58
LEU A  18
THR A  25
GLY A 102
 None
None
None
None
COA  A 201 (-3.2A)
 1.02A 4ypmA-5hh0A:
undetectable		 4ypmA-5hh0A:
20.44
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.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		 1xvt CROTONOBETAINYL-COA:
CARNITINE
COA-TRANSFERASE
(Escherichia
coli) 		4 / 6 PHE A 147
GLY A 125
TYR A 201
ALA A 199
 None
COA  A 501 ( 4.7A)
None
None
 1.14A 4yshB-1xvtA:
4.1		 4yshB-1xvtA:
23.18
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		4 / 7 ASN A   7
LYS A   8
LEU A  17
PHE A  82
 None
None
None
COA  A 600 (-4.5A)
 0.87A 4yv5A-1s5kA:
undetectable		 4yv5A-1s5kA:
16.17
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.
4YV5_B_SVRB207_2
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		 1s5k AMINOGLYCOSIDE
6'-N-ACETYLTRANSFERA
SE
(Salmonella
enterica) 		4 / 7 ASN A   7
LYS A   8
LEU A  17
PHE A  82
 None
None
None
COA  A 600 (-4.5A)
 0.96A 4yv5B-1s5kA:
undetectable		 4yv5B-1s5kA:
16.17
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.
4Z3O_F_MFXF101_1
(DNA TOPOISOMERASE 4
SUBUNIT
B,PARE30-PARC55
FUSED TOPO IV FROM
S. PNEUMONIAE
E-SITE DNA)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 5 ARG A 141
GLY A 139
GLU A 168
SER A 131
 None
None
None
COA  A 169 (-3.2A)
 1.20A 4z3oA-3fbuA:
undetectable
4z3oB-3fbuA:
undetectable		 4z3oA-3fbuA:
11.25
4z3oB-3fbuA:
11.25
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		4 / 7 LEU A 136
ALA A 139
LEU A 163
ALA A 106
 None
None
None
COA  A1002 (-3.6A)
 0.65A 4z90F-3cv2A:
2.7
4z90G-3cv2A:
1.9
4z90H-3cv2A:
1.8
4z90J-3cv2A:
3.1		 4z90F-3cv2A:
22.72
4z90G-3cv2A:
22.72
4z90H-3cv2A:
22.72
4z90J-3cv2A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		 3cv2 MALATE SYNTHASE A
(Escherichia
coli) 		4 / 7 LEU A 163
ALA A 106
LEU A 136
ALA A 139
 None
COA  A1002 (-3.6A)
None
None
 0.61A 4z90F-3cv2A:
2.7
4z90G-3cv2A:
1.9
4z90H-3cv2A:
1.8
4z90J-3cv2A:
3.1		 4z90F-3cv2A:
22.72
4z90G-3cv2A:
22.72
4z90H-3cv2A:
22.72
4z90J-3cv2A:
22.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZDZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 7 PHE A 184
ILE A 220
PHE A 189
GLY A 254
 None
None
COA  A 401 (-4.8A)
COA  A 401 (-3.3A)
 0.94A 4zdzA-5kf2A:
undetectable		 4zdzA-5kf2A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZE0_A_VORA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5zai -
(-) 		5 / 9 PHE A  70
ILE A  67
PHE A  81
LEU A  33
LEU A  32
 COA  A 301 (-4.8A)
COA  A 301 (-4.0A)
None
None
None
 1.18A 4ze0A-5zaiA:
undetectable		 4ze0A-5zaiA:
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.
5B2Q_A_ACTA1728_0
(CRISPR-ASSOCIATED
ENDONUCLEASE CAS9)		 3tfy N-ALPHA-ACETYLTRANSF
ERASE 50, NATE
CATALYTIC SUBUNIT
(Homo
sapiens) 		3 / 3 ASN A 117
SER A 119
ARG A  84
 COA  A 201 (-3.3A)
COA  A 201 (-3.8A)
COA  A 201 (-3.9A)
 0.83A 5b2qA-3tfyA:
undetectable		 5b2qA-3tfyA:
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.
5B8H_A_PAUA302_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 GLY A 152
THR A  37
ILE A  33
LEU A  22
THR A  28
 COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
None
None
 1.04A 5b8hA-1eblA:
undetectable
5b8hB-1eblA:
undetectable		 5b8hA-1eblA:
23.08
5b8hB-1eblA:
23.08
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.
5B8H_B_PAUB302_0
(TYPE III
PANTOTHENATE KINASE)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		5 / 12 LEU A  22
THR A  28
GLY A 152
THR A  37
ILE A  33
 None
None
COA  A1350 (-3.7A)
COA  A1350 (-4.6A)
None
 1.05A 5b8hA-1eblA:
undetectable
5b8hB-1eblA:
undetectable		 5b8hA-1eblA:
23.08
5b8hB-1eblA:
23.08
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		 5hmn AAC3-I
(uncultured
bacterium) 		4 / 6 ASP A  86
PRO A 130
TYR A 135
LEU A 134
 PG4  A 202 (-3.7A)
COA  A 201 (-3.9A)
COA  A 201 (-4.8A)
COA  A 201 (-3.9A)
 1.15A 5bmvB-5hmnA:
undetectable		 5bmvB-5hmnA:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_G_MFXG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 7 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.83A 5btaA-3fbuA:
undetectable
5btaC-3fbuA:
undetectable
5btaD-3fbuA:
undetectable		 5btaA-3fbuA:
15.22
5btaC-3fbuA:
15.22
5btaD-3fbuA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTA_H_MFXH101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
GGTCATGAATGACTATGCAC
GTAA)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 6 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.85A 5btaA-3fbuA:
undetectable
5btaB-3fbuA:
undetectable
5btaC-3fbuA:
undetectable		 5btaA-3fbuA:
15.22
5btaB-3fbuA:
21.86
5btaC-3fbuA:
15.22
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.
5BTC_G_CPFG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 6 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.82A 5btcA-3fbuA:
undetectable
5btcC-3fbuA:
undetectable
5btcD-3fbuA:
undetectable		 5btcA-3fbuA:
15.22
5btcC-3fbuA:
15.22
5btcD-3fbuA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BTC_G_CPFG102_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 6 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.84A 5btcA-3fbuA:
undetectable
5btcB-3fbuA:
undetectable
5btcC-3fbuA:
undetectable		 5btcA-3fbuA:
15.22
5btcB-3fbuA:
21.86
5btcC-3fbuA:
15.22
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.
5BTF_F_GFNF101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 7 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.87A 5btfA-3fbuA:
undetectable
5btfB-3fbuA:
undetectable
5btfC-3fbuA:
undetectable		 5btfA-3fbuA:
15.22
5btfB-3fbuA:
21.86
5btfC-3fbuA:
15.22
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.
5BTF_G_GFNG101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT B
DNA SUBSTRATE 24-MER
TTACGTGCATAGTCATTCAT
GACC)		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		4 / 7 SER A 131
ARG A 141
GLY A 139
GLU A 168
 COA  A 169 (-3.2A)
None
None
None
 0.91A 5btfA-3fbuA:
undetectable
5btfC-3fbuA:
undetectable
5btfD-3fbuA:
undetectable		 5btfA-3fbuA:
15.22
5btfC-3fbuA:
15.22
5btfD-3fbuA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		 4eaa PEROSAMINE
N-ACETYLTRANSFERASE
(Caulobacter
vibrioides) 		5 / 12 GLY A 170
GLY A 172
ARG A 174
ILE A 186
ALA A 137
 COA  A 302 (-3.4A)
None
None
None
None
 0.82A 5bw4B-4eaaA:
undetectable		 5bw4B-4eaaA:
23.70
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.
5C6P_A_4YHA601_1
(PROTEIN C)		 5w40 POPP2 PROTEIN
(Ralstonia
solanacearum) 		4 / 6 SER A 447
SER A 317
ASP A 182
PRO A 183
 None
COA  A 502 (-4.8A)
None
None
 1.16A 5c6pA-5w40A:
undetectable		 5c6pA-5w40A:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 4nv7 ARYLAMINE
N-ACETYLTRANSFERASE
(Mesorhizobium
japonicum) 		6 / 12 GLY A 129
TYR A  72
LEU A 176
GLY A 132
GLY A  70
PHE A 204
 None
COA  A 301 ( 4.4A)
None
COA  A 301 (-3.6A)
None
COA  A 301 ( 4.8A)
 1.35A 5d4uA-4nv7A:
undetectable		 5d4uA-4nv7A:
21.23
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.
5D4U_C_SAMC301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3f8k PROTEIN
ACETYLTRANSFERASE
(Sulfolobus
solfataricus) 		5 / 12 TYR A 113
ILE A 122
GLY A 125
ILE A 124
GLY A  75
 None
None
None
COA  A 301 (-4.6A)
None
 0.95A 5d4uC-3f8kA:
undetectable		 5d4uC-3f8kA:
19.33
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.
5D4U_D_SAMD301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		 3f8k PROTEIN
ACETYLTRANSFERASE
(Sulfolobus
solfataricus) 		5 / 12 TYR A 113
ILE A 122
GLY A 125
ILE A 124
GLY A  75
 None
None
None
COA  A 301 (-4.6A)
None
 1.00A 5d4uD-3f8kA:
undetectable		 5d4uD-3f8kA:
19.33
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.
5DQF_A_LCRA612_1
(SERUM ALBUMIN)		 2c27 MYCOTHIOL SYNTHASE
(Mycobacterium
tuberculosis) 		5 / 9 LEU A 238
LEU A 249
GLY A 250
LEU A 253
ALA A 205
 COA  A1314 (-4.5A)
COA  A1314 (-4.9A)
COA  A1314 (-3.3A)
None
None
 0.99A 5dqfA-2c27A:
undetectable		 5dqfA-2c27A:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DQY_A_BEZA401_0
(THIOREDOXIN)		 1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN
(Escherichia
coli) 		4 / 8 ILE A  95
GLN A  13
SER A  80
CYH A  77
 COA  A 901 (-4.8A)
None
COA  A 901 (-4.2A)
None
 1.16A 5dqyA-1cqjA:
0.0		 5dqyA-1cqjA:
19.23
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.
5DSG_B_0HKB1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		 5k04 UNCHARACTERIZED
PROTEIN
(Candida
albicans) 		3 / 3 ASP A 363
ASN A 368
PHE A 354
 COA  B 202 (-3.0A)
None
None
 0.78A 5dsgB-5k04A:
1.0		 5dsgB-5k04A:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_R_BEZR801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		4 / 8 SER A 279
ALA A 278
HIS A 244
LEU A 142
 None
None
COA  A1350 (-4.4A)
None
 1.02A 5dzkd-1eblA:
undetectable
5dzkr-1eblA:
undetectable		 5dzkd-1eblA:
21.18
5dzkr-1eblA:
1.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_T_BEZT801_1
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 1ebl BETA-KETOACYL-ACP
SYNTHASE III
(Escherichia
coli) 		4 / 8 SER A 279
ALA A 278
HIS A 244
LEU A 142
 None
None
COA  A1350 (-4.4A)
None
 1.02A 5dzkF-1eblA:
undetectable
5dzkT-1eblA:
undetectable		 5dzkF-1eblA:
21.18
5dzkT-1eblA:
1.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_Y_BEZY801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		 3ne7 ACETYLTRANSFERASE
(Thermoplasma
acidophilum) 		4 / 5 ILE A  75
GLY A  67
ILE A 103
LEU A  74
 None
None
COA  A 161 (-4.9A)
None
 0.91A 5dzkd-3ne7A:
undetectable
5dzkk-3ne7A:
undetectable
5dzky-3ne7A:
undetectable		 5dzkd-3ne7A:
19.72
5dzkk-3ne7A:
21.63
5dzky-3ne7A:
3.92
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.
5DZK_Z_BEZZ801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		 3ne7 ACETYLTRANSFERASE
(Thermoplasma
acidophilum) 		4 / 4 ILE A  75
GLY A  67
ILE A 103
LEU A  74
 None
None
COA  A 161 (-4.9A)
None
 0.90A 5dzkl-3ne7A:
undetectable
5dzkz-3ne7A:
undetectable		 5dzkl-3ne7A:
21.63
5dzkz-3ne7A:
3.92
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.
5ESH_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 4xz3 ACYL-COA SYNTHETASE
(NDP FORMING)
(Candidatus
Korarchaeum
cryptofilum) 		5 / 12 LEU A 196
TYR A 133
ILE A  98
GLY A 145
PHE A   8
 None
None
COA  A 501 (-4.1A)
None
None
 1.23A 5eshA-4xz3A:
undetectable		 5eshA-4xz3A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESJ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		4 / 8 ILE A  72
GLY A  81
THR A  78
MET A 107
 None
None
None
COA  A 500 (-4.6A)
 0.92A 5esjA-1q6yA:
0.0		 5esjA-1q6yA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ESM_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 7 PHE A 184
ILE A 220
PHE A 189
GLY A 254
 None
None
COA  A 401 (-4.8A)
COA  A 401 (-3.3A)
 0.92A 5esmA-5kf2A:
undetectable		 5esmA-5kf2A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5F1A_A_SALA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 8 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 0.99A 5f1aA-4ubtA:
undetectable		 5f1aA-4ubtA:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5FHZ_A_REAA602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		5 / 12 GLY A 305
LEU A 189
MET A 206
CYH A 146
THR A 145
 SCY  A 112 ( 3.8A)
COA  A 401 (-4.2A)
COA  A 401 (-3.8A)
None
None
 1.45A 5fhzA-4nhdA:
undetectable		 5fhzA-4nhdA:
21.82
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.
5HIE_B_P06B801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		4 / 7 ILE A 311
GLY A 310
LEU A 447
PHE A 452
 COA  A2600 (-4.1A)
COA  A2600 (-3.1A)
None
None
 0.90A 5hieB-2ahwA:
undetectable		 5hieB-2ahwA:
20.78
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.
5HM8_A_ADNA501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.11A 5hm8A-5szuA:
undetectable		 5hm8A-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_B_ADNB501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.12A 5hm8B-5szuA:
undetectable		 5hm8B-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_C_ADNC501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.12A 5hm8C-5szuA:
undetectable		 5hm8C-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_D_ADND501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.11A 5hm8D-5szuA:
undetectable		 5hm8D-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_E_ADNE501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.11A 5hm8E-5szuA:
undetectable		 5hm8E-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_F_ADNF501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.12A 5hm8F-5szuA:
undetectable		 5hm8F-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_G_ADNG501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.20A 5hm8G-5szuA:
undetectable		 5hm8G-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HM8_H_ADNH501_2
(ADENOSYLHOMOCYSTEINA
SE)		 5szu ACYL-COA HYDROLASE
(Neisseria
meningitidis) 		4 / 5 GLU A 140
GLU A  89
THR A 113
LEU A 150
 None
None
None
COA  A 201 (-4.4A)
 1.12A 5hm8H-5szuA:
undetectable		 5hm8H-5szuA:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I6X_A_8PRA705_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		 1yvk HYPOTHETICAL PROTEIN
BSU33890
(Bacillus
subtilis) 		5 / 10 ASP A  87
ALA A  70
ILE A  69
TYR A  54
GLY A  52
 None
COA  A 201 (-3.6A)
COA  A 201 (-4.5A)
None
None
 1.25A 5i6xA-1yvkA:
undetectable		 5i6xA-1yvkA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IGZ_A_SPRA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 5k04 N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3
(Candida
albicans) 		5 / 12 ASP B  21
ARG B  85
ASN B  28
TYR B  57
MET B  59
 COA  B 202 ( 4.0A)
COA  B 202 (-3.3A)
None
None
None
 1.49A 5igzA-5k04B:
0.0		 5igzA-5k04B:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IH0_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		 3lnb N-ACETYLTRANSFERASE
FAMILY PROTEIN
(Bacillus
anthracis) 		5 / 12 ILE A 110
HIS A 108
GLY A  92
PHE A 137
ILE A 187
 None
COA  A1001 ( 4.1A)
None
None
None
 1.18A 5ih0A-3lnbA:
undetectable		 5ih0A-3lnbA:
22.66
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.
5IKQ_A_JMSA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 1.05A 5ikqA-4ubtA:
undetectable		 5ikqA-4ubtA:
20.14
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.
5IKQ_B_JMSB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4ubt ACETYL-COA
ACETYLTRANSFERASE
FADA5
(Mycobacterium
tuberculosis) 		5 / 12 VAL A 234
LEU A 228
GLY A 243
ALA A 242
SER A 245
 None
None
COA  A 401 ( 4.3A)
COA  A 401 (-3.5A)
COA  A 401 ( 4.0A)
 1.05A 5ikqB-4ubtA:
undetectable		 5ikqB-4ubtA:
20.14
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.
5JW1_A_CELA602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 4q38 PUTATIVE
UNCHARACTERIZED
PROTEIN TCP24
(Actinoplanes
teichomyceticus) 		6 / 12 VAL A 197
TYR A 209
LEU A 204
ALA A 216
GLY A 234
SER A 236
 TEC  A 404 ( 4.2A)
None
COA  A 403 (-4.6A)
None
TEC  A 404 ( 3.9A)
COA  A 403 (-3.1A)
 1.22A 5jw1A-4q38A:
undetectable		 5jw1A-4q38A:
21.44
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.
5KQY_B_017B101_2
(PROTEASE E35D-DRV)		 6bc5 AAC 3-VI PROTEIN
(Enterobacter
cloacae) 		4 / 7 GLY A 179
ALA A 180
GLY A 117
ILE A 119
 None
COA  A 301 ( 3.9A)
COA  A 301 (-3.2A)
None
 0.60A 5kqyB-6bc5A:
undetectable		 5kqyB-6bc5A:
24.75
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.
5L1F_D_6ZPD902_1
(GLUTAMATE RECEPTOR 2)		 2pr1 UNCHARACTERIZED
N-ACETYLTRANSFERASE
YLBP
(Bacillus
subtilis) 		5 / 10 SER A 119
PHE A 122
PRO A 115
ASN A 114
LEU A 144
 COA  A 206 (-4.0A)
COA  A 206 (-3.9A)
None
None
None
 1.46A 5l1fD-2pr1A:
undetectable		 5l1fD-2pr1A:
13.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		 5hh0 N-ALPHA-ACETYLTRANSF
ERASE 60
(Homo
sapiens) 		5 / 12 LEU A 101
LEU A  99
LEU A 120
ALA A  96
ILE A 135
 COA  A 201 (-4.7A)
None
None
None
None
 1.07A 5mioB-5hh0A:
undetectable		 5mioB-5hh0A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NWU_A_ACAA18_1
(WTFP-TAG,GP41)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		5 / 12 ALA A 128
GLY A 129
LYS A 127
GLN A 314
GLU A 312
 None
None
COA  A 500 (-3.2A)
None
None
 1.25A 5nwuA-2ozgA:
undetectable		 5nwuA-2ozgA:
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		4 / 7 LEU A 102
GLY A 100
GLY A  60
ALA A 105
 None
GOL  A 770 ( 4.3A)
COA  A 760 ( 4.0A)
None
 0.78A 5o96C-2x58A:
undetectable		 5o96C-2x58A:
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.
5OSP_A_ACTA403_0
(CASEIN KINASE II
SUBUNIT ALPHA)		 2d5a HYPOTHETICAL PROTEIN
PH1109
(Pyrococcus
horikoshii) 		5 / 7 TYR A  93
VAL A  71
ILE A  78
VAL A  28
ALA A  26
 COA  A 200 (-4.5A)
None
None
None
None
 1.15A 5ospA-2d5aA:
undetectable		 5ospA-2d5aA:
15.41
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.
5TUD_A_ERMA2001_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		 4qvh MALTOSE-BINDING
PERIPLASMIC PROTEIN,
4'-PHOSPHOPANTETHEIN
YL TRANSFERASE
CHIMERA
(Escherichia
coli;
Mycobacterium
tuberculosis) 		4 / 7 THR A 373
LEU A 462
VAL A 482
GLU A 487
 GOL  A 605 (-4.9A)
COA  A 602 (-3.8A)
None
MG  A 603 ( 3.3A)
 0.97A 5tudA-4qvhA:
undetectable		 5tudA-4qvhA:
22.48
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		 3fbu ACETYLTRANSFERASE,
GNAT FAMILY
(Bacillus
anthracis) 		5 / 12 GLY A  71
PHE A  90
LEU A   8
GLY A  87
VAL A 134
 None
COA  A 169 (-4.6A)
None
None
COA  A 169 ( 4.8A)
 1.12A 5tuiB-3fbuA:
undetectable		 5tuiB-3fbuA:
17.60
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		 4zv3 CYTOSOLIC ACYL
COENZYME A THIOESTER
HYDROLASE
(Mus
musculus) 		5 / 12 GLY A 251
VAL A 146
GLY A  78
PHE A 334
VAL A 279
 COA  A 401 ( 3.8A)
None
None
None
None
 0.93A 5tuiB-4zv3A:
undetectable		 5tuiB-4zv3A:
21.81
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.
5UBB_A_SAMA301_0
(ALPHA N-TERMINAL
PROTEIN
METHYLTRANSFERASE 1B)		 4nhd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3 PROTEIN 1
(Vibrio
cholerae) 		5 / 12 GLY A 208
VAL A 214
SER A 152
HIS A 205
LEU A 204
 COA  A 401 (-3.3A)
None
None
None
None
 1.24A 5ubbA-4nhdA:
undetectable		 5ubbA-4nhdA:
25.08
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.
5UHD_C_RFPC1201_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 12 GLN A 186
ARG A 361
PRO A 354
ASN A 255
ILE A  18
 COA  A1001 (-4.3A)
None
None
None
None
 1.20A 5uhdC-1wl4A:
0.0		 5uhdC-1wl4A:
16.23
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.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		 1wl4 ACETYL-COENZYME A
ACETYLTRANSFERASE 2
(Homo
sapiens) 		5 / 9 CYH A 383
GLY A 296
GLY A 294
ALA A 330
VAL A 327
 COA  A1001 ( 4.6A)
None
None
None
None
 1.29A 5v3cA-1wl4A:
0.0		 5v3cA-1wl4A:
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 ILE A  72
PHE A  99
GLY A  81
THR A  78
MET A 107
 None
COA  A 500 (-3.6A)
None
None
COA  A 500 (-4.6A)
 1.18A 5v5zA-1q6yA:
undetectable		 5v5zA-1q6yA:
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.
5VOO_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.12A 5vooA-2x58A:
undetectable		 5vooA-2x58A:
18.37
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.14A 5vooB-2x58A:
undetectable		 5vooB-2x58A:
18.37
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.
5VOO_C_C2FC702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.10A 5vooC-2x58A:
undetectable		 5vooC-2x58A:
18.37
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.
5VOO_D_C2FD3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.16A 5vooD-2x58A:
undetectable		 5vooD-2x58A:
18.37
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		 2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE
(Acremonium
chrysogenum) 		6 / 12 GLY A 361
VAL A 376
LEU A  72
VAL A 146
SER A 149
ILE A 172
 None
None
None
None
COA  A1383 (-3.5A)
None
 1.25A 5vopA-2vatA:
undetectable		 5vopA-2vatA:
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.
5VUN_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 5 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.25A 5vunA-5xxsA:
undetectable		 5vunA-5xxsA:
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.
5VUO_A_ACTA804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 4 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.26A 5vuoA-5xxsA:
0.0		 5vuoA-5xxsA:
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		5 / 12 PRO A 140
GLY A  67
LEU A 118
GLY A 117
GLY A 116
 COA  A1730 (-4.2A)
COA  A1730 ( 4.3A)
None
None
None
 0.88A 5wyqB-4b3iA:
undetectable		 5wyqB-4b3iA:
16.92
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.
5X2T_I_PEMI202_1
(HEMOGLOBIN SUBUNIT
ALPHA
HEMOGLOBIN SUBUNIT
BETA)		 2ahw PUTATIVE ENZYME YDIF
(Escherichia
coli) 		4 / 8 ALA A 420
THR A 417
THR A 468
ALA A 312
 COA  A2600 ( 4.3A)
COA  A2600 ( 4.8A)
None
None
 1.03A 5x2tI-2ahwA:
undetectable
5x2tJ-2ahwA:
undetectable
5x2tK-2ahwA:
undetectable
5x2tL-2ahwA:
undetectable		 5x2tI-2ahwA:
13.49
5x2tJ-2ahwA:
15.20
5x2tK-2ahwA:
13.49
5x2tL-2ahwA:
15.20
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 1cm0 P300/CBP ASSOCIATING
FACTOR
(Homo
sapiens) 		5 / 12 ILE B 549
LEU B 518
GLY B 517
ALA B 575
VAL B 576
 None
None
None
COA  B 700 (-3.7A)
COA  B 700 (-4.2A)
 0.85A 5x66F-1cm0B:
0.0		 5x66F-1cm0B:
19.86
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.
5X66_F_MTXF402_1
(THYMIDYLATE SYNTHASE)		 4nsq HISTONE
ACETYLTRANSFERASE
KAT2B
(Homo
sapiens) 		5 / 12 ILE A 549
LEU A 518
GLY A 517
ALA A 575
VAL A 576
 None
None
None
COA  A 700 (-3.9A)
COA  A 700 (-4.1A)
 0.74A 5x66F-4nsqA:
undetectable		 5x66F-4nsqA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		 4b3i FATTY ACID
BETA-OXIDATION
COMPLEX ALPHA-CHAIN
FADB
(Mycobacterium
tuberculosis) 		4 / 8 LEU A 197
LEU A 114
ALA A 113
LEU A 137
 None
COA  A1730 ( 4.4A)
None
None
 0.85A 5y7pC-4b3iA:
undetectable		 5y7pC-4b3iA:
18.03
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.
5ZVG_A_SAMA401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.16A 5zvgA-2ibuA:
undetectable		 5zvgA-2ibuA:
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.
5ZVG_B_SAMB401_0
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		5 / 12 ALA A 355
GLY A 415
SER A 411
ALA A 380
TYR A 214
 COA  A6001 (-3.6A)
CSO  A 126 ( 4.2A)
None
None
None
 1.15A 5zvgB-2ibuA:
undetectable		 5zvgB-2ibuA:
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		 2ibu ACETYL-COA
ACETYLTRANSFERASE
(Homo
sapiens) 		3 / 3 ASN A 189
VAL A 180
HIS A 192
 None
None
COA  A6001 (-4.5A)
 0.86A 6a5yD-2ibuA:
undetectable		 6a5yD-2ibuA:
11.23
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.
6AUU_B_ACTB804_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		 5xxs PROTEIN RIBT
(Bacillus
subtilis) 		4 / 4 GLY A  83
GLN A  85
TRP A  47
VAL A  54
 COA  A 200 (-3.6A)
None
None
None
 1.25A 6auuB-5xxsA:
0.0		 6auuB-5xxsA:
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.
6AV6_D_H4BD502_1
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		 3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE
(Acetobacter
aceti) 		4 / 7 PHE A 103
SER A  24
VAL A  22
ARG A  44
 COA  A2001 (-3.6A)
COA  A2001 (-3.2A)
COA  A2001 ( 4.9A)
COA  A2001 (-3.2A)
 1.26A 6av6C-3ubmA:
undetectable
6av6D-3ubmA:
undetectable		 6av6C-3ubmA:
8.47
6av6D-3ubmA:
8.47
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		 2pfr ARYLAMINE
N-ACETYLTRANSFERASE
2
(Homo
sapiens) 		5 / 12 ILE A 189
LEU A 288
LEU A 161
PHE A  93
LEU A 135
 None
UNX  A1009 ( 4.2A)
None
COA  A 401 ( 3.8A)
None
 1.02A 6b54A-2pfrA:
undetectable		 6b54A-2pfrA:
24.52
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.
6B89_A_NOVA403_2
(LIPOPOLYSACCHARIDE
EXPORT SYSTEM
ATP-BINDING PROTEIN
LPTB)		 3ho8 PYRUVATE CARBOXYLASE
(Staphylococcus
aureus) 		4 / 6 ARG A1085
ARG A 398
ALA A 416
GLN A1083
 COA  A2001 (-3.5A)
COA  A2001 (-3.3A)
None
None
 1.09A 6b89B-3ho8A:
undetectable		 6b89B-3ho8A:
6.43
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.
6BXL_A_SAMA401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 LEU A 179
GLY A 175
SER A  67
GLN A  26
ASP A 171
 None
None
None
None
COA  A 500 (-3.0A)
 1.40A 6bxlA-1q6yA:
2.8		 6bxlA-1q6yA:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 GLY A  44
VAL A  18
GLY A 392
SER A  71
ALA A 388
 None
COA  A 500 (-4.0A)
None
None
None
 1.09A 6c2mA-1q6yA:
undetectable		 6c2mA-1q6yA:
9.95
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.
6C2M_A_SUEA1202_0
(NS3 PROTEASE)		 3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE
(Acetobacter
aceti) 		5 / 12 GLY A  48
VAL A  22
GLY A 408
SER A  75
ALA A 404
 None
COA  A2001 ( 4.9A)
None
None
None
 1.08A 6c2mA-3ubmA:
undetectable		 6c2mA-3ubmA:
10.91
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 1q6y HYPOTHETICAL PROTEIN
YFDW
(Escherichia
coli) 		5 / 12 GLY A  44
VAL A  18
GLY A 392
SER A  71
ALA A 388
 None
COA  A 500 (-4.0A)
None
None
None
 1.05A 6c2mB-1q6yA:
undetectable		 6c2mB-1q6yA:
9.95
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.
6C2M_B_SUEB1202_0
(NS3 PROTEASE)		 3ubm FORMYL-COA:OXALATE
COA-TRANSFERASE
(Acetobacter
aceti) 		5 / 12 GLY A  48
VAL A  22
GLY A 408
SER A  75
ALA A 404
 None
COA  A2001 ( 4.9A)
None
None
None
 1.03A 6c2mB-3ubmA:
undetectable		 6c2mB-3ubmA:
10.91
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		 5k04 UNCHARACTERIZED
PROTEIN
N-TERMINAL
ACETYLTRANSFERASE B
COMPLEX SUBUNIT NAT3
(Candida
albicans;
Candida
albicans) 		4 / 6 LEU B 123
TYR B  57
ASP B  21
GLN A 436
 COA  B 202 (-2.9A)
None
COA  B 202 ( 4.0A)
None
 1.34A 6djzC-5k04B:
undetectable		 6djzC-5k04B:
19.11
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.
6DRY_A_H8DA2001_0
(5HT2B RECEPTOR, BRIL
CHIMERA)		 4qjl PHOSPHOPANTETHEINYL
TRANSFERASE, PPTII
(Mycobacterium
ulcerans) 		5 / 11 THR A  92
VAL A  15
LEU A  11
ALA A 115
VAL A 162
 COA  A 301 (-3.6A)
None
None
None
None
 1.23A 6dryA-4qjlA:
undetectable		 6dryA-4qjlA:
21.71
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.
6G2P_B_TRPB502_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		 1m4i AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A  62
LEU A  99
LEU A 100
TYR A 126
VAL A  96
 None
None
None
None
COA  A 600 (-3.8A)
 1.49A 6g2pB-1m4iA:
undetectable		 6g2pB-1m4iA:
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.
6GNF_C_QPSC602_1
(-)		 4hzp BIFUNCTIONAL
METHYLMALONYL-COA:AC
P
ACYLTRANSFERASE/DECA
RBOXYLASE
(Streptomyces
atroolivaceus) 		5 / 10 GLY A 219
LEU A 220
TYR A 226
SER A  28
PHE A 223
 None
None
COA  A 401 ( 4.8A)
None
CL  A 402 (-4.9A)
 1.35A 6gnfC-4hzpA:
undetectable		 6gnfC-4hzpA:
21.71
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.
6HU9_N_PCFN606_0
(CYTOCHROME B)		 2ozg GCN5-RELATED
N-ACETYLTRANSFERASE
(Trichormus
variabilis) 		5 / 12 ALA A  82
TYR A 125
THR A 121
PHE A  30
VAL A  41
 None
None
COA  A 500 (-3.1A)
COA  A 500 ( 4.5A)
None
 1.47A 6hu9N-2ozgA:
undetectable		 6hu9N-2ozgA:
22.64
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.
6HU9_T_PCFT101_0
(CYTOCHROME B-C1
COMPLEX SUBUNIT 1,
MITOCHONDRIAL
CYTOCHROME B-C1
COMPLEX SUBUNIT 9
CYTOCHROME B-C1
COMPLEX SUBUNIT
RIESKE,
MITOCHONDRIAL)		 4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE
(Acetobacter
aceti) 		5 / 10 ASP A  95
MET A 383
GLY A 271
ALA A 239
ASN A 384
 None
COA  A2598 (-4.1A)
None
None
COA  A2598 (-3.9A)
 1.37A 6hu9L-4eudA:
undetectable
6hu9P-4eudA:
undetectable
6hu9T-4eudA:
undetectable		 6hu9L-4eudA:
20.08
6hu9P-4eudA:
18.35
6hu9T-4eudA:
9.07
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		5 / 11 ASN A  95
TYR A 138
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-3.9A)
None
None
None
None
 1.13A 6mb5A-5ht0A:
39.4		 6mb5A-5ht0A:
23.08
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 11 TYR A  62
ASP A  64
TYR A 138
ASP A 162
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
None
COA  A 301 (-3.9A)
None
None
None
 0.60A 6mb5A-5ht0A:
39.4		 6mb5A-5ht0A:
23.08
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.
6MB7_A_PARA900_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		7 / 10 TYR A  62
ASP A  64
TYR A 138
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
COA  A 301 (-3.9A)
None
None
None
 0.54A 6mb7A-5ht0A:
39.3		 6mb7A-5ht0A:
23.08
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.
6MB9_A_NMYA303_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 10 TYR A  62
ASP A  64
TYR A 138
ASP A 162
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
None
COA  A 301 (-3.9A)
None
None
None
 0.58A 6mb9A-5ht0A:
39.8		 6mb9A-5ht0A:
23.08
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.
6MB9_B_NMYB302_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 10 TYR A  62
ASP A  64
TYR A 138
ASP A 162
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
None
COA  A 301 (-3.9A)
None
None
None
 0.53A 6mb9B-5ht0A:
39.8		 6mb9B-5ht0A:
23.08
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.
6MB9_C_NMYC302_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 10 TYR A  62
ASP A  64
TYR A 138
ASP A 162
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
None
COA  A 301 (-3.9A)
None
None
None
 0.56A 6mb9C-5ht0A:
39.6		 6mb9C-5ht0A:
23.08
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.
6MB9_D_NMYD302_0
(AAC(3)-IIIB PROTEIN)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 10 TYR A  62
ASP A  64
TYR A 138
ASP A 162
THR A 163
HIS A 168
THR A 204
ASP A 206
 COA  A 301 (-4.7A)
None
None
None
COA  A 301 (-3.9A)
None
None
None
 0.58A 6mb9D-5ht0A:
39.6		 6mb9D-5ht0A:
23.08
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 3to9 HISTONE
ACETYLTRANSFERASE
ESA1
(Saccharomyces
cerevisiae) 		4 / 8 GLY A 288
LEU A 319
GLY A 317
LEU A 320
 None
None
COA  A 500 (-3.3A)
None
 0.85A 6mdqA-3to9A:
undetectable		 6mdqA-3to9A:
19.75
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.
6MDQ_A_TESA605_0
(SERUM ALBUMIN)		 5kf2 PREDICTED
ACETYLTRANSFERASE
(Clostridium
acetobutylicum) 		4 / 8 GLY A 254
LEU A 264
GLY A 265
LEU A 268
 COA  A 401 (-3.3A)
None
COA  A 401 (-3.4A)
None
 0.85A 6mdqA-5kf2A:
undetectable		 6mdqA-5kf2A:
11.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		8 / 10 TRP A  65
ASP A  69
GLY A 115
TYR A 138
ASP A 162
THR A 163
THR A 204
SER A 205
 None
None
None
None
None
COA  A 301 (-3.9A)
None
None
 0.76A 6mn1A-5ht0A:
43.8		 6mn1A-5ht0A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN1_A_LLLA302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		9 / 10 TYR A  62
ASP A  64
TRP A  65
ASP A  69
GLY A 115
TYR A 138
ASP A 162
THR A 163
THR A 204
 COA  A 301 (-4.7A)
None
None
None
None
None
None
COA  A 301 (-3.9A)
None
 0.53A 6mn1A-5ht0A:
43.8		 6mn1A-5ht0A:
98.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6MN1_B_LLLB302_0
(AMINOGLYCOSIDE
N(3)-ACETYLTRANSFERA
SE)		 5ht0 AMINOGLYCOSIDE
ACETYLTRANSFERASE
HMB0005
(uncultured
bacterium) 		10 / 10 TYR A  62
ASP A  64
TRP A  65
ASP A  69
GLY A 115
TYR A 138
ASP A 162
THR A 163
THR A 204
SER A 205
 COA  A 301 (-4.7A)
None
None
None
None
None
None
COA  A 301 (-3.9A)
None
None
 0.68A 6mn1B-5ht0A:
43.8		 6mn1B-5ht0A:
98.75
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 5frd CARBOXYLESTERASE
(EST-2)
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 228
LEU A 118
SER A  30
HIS A  88
ASP A 200
 None
COA  A1257 ( 4.0A)
CL  A1258 (-2.9A)
None
None
 1.23A 6n91A-5frdA:
2.4		 6n91A-5frdA:
15.29
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.
6N91_B_DCFB401_0
(ADENOSINE DEAMINASE)		 5frd CARBOXYLESTERASE
(EST-2)
(Archaeoglobus
fulgidus) 		5 / 12 HIS A 228
LEU A 118
SER A  30
HIS A  88
ASP A 200
 None
COA  A1257 ( 4.0A)
CL  A1258 (-2.9A)
None
None
 1.26A 6n91B-5frdA:
2.2		 6n91B-5frdA:
15.29
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.
6NJ9_K_SAMK500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		 2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME
(Rattus
norvegicus) 		5 / 12 PRO A  71
GLY A  99
GLY A 101
VAL A  96
ALA A 132
 None
COA  A 760 ( 4.0A)
None
COA  A 760 ( 4.6A)
GOL  A 770 (-3.8A)
 1.08A 6nj9K-2x58A:
2.2		 6nj9K-2x58A:
20.49