SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZVM_A_DM2A303_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1c20 DEAD RINGER PROTEIN

(Drosophila
melanogaster) 		PF01388
(ARID) 		5 GLY A  68
GLY A  67
GLU A 110
ILE A  64
ILE A  81
 None
 1.23A 4zvmA-1c20A:
undetectable
4zvmB-1c20A:
undetectable		 4zvmA-1c20A:
20.08
4zvmB-1c20A:
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.
1cqj SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Escherichia
coli) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 GLY A 154
THR A 157
GLU A 208
ILE A 206
ILE A 177
 PO4  A 906 (-3.8A)
None
None
None
None
 1.25A 4zvmA-1cqjA:
4.7
4zvmB-1cqjA:
5.0		 4zvmA-1cqjA:
21.81
4zvmB-1cqjA:
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.
1dun DEOXYURIDINE
5'-TRIPHOSPHATE
NUCLEOTIDOHYDROLASE

(Equine
infectious
anemia virus) 		PF00692
(dUTPase) 		5 GLY A  69
GLY A  68
ILE A  66
GLN A  80
ILE A  36
 None
 1.22A 4zvmA-1dunA:
undetectable
4zvmB-1dunA:
undetectable		 4zvmA-1dunA:
19.91
4zvmB-1dunA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1f8v MATURE CAPSID
PROTEIN BETA

(Pariacoto virus) 		PF01829
(Peptidase_A6) 		5 GLY A 113
THR A 137
PHE A 159
ILE A 317
PHE A 255
 None
 1.27A 4zvmA-1f8vA:
undetectable
4zvmB-1f8vA:
undetectable		 4zvmA-1f8vA:
19.38
4zvmB-1f8vA:
19.38
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 TRP A 229
GLY A 232
GLY A 386
ILE A 301
PHE A 310
 None
MGD  A5002 (-3.2A)
MGD  A5002 (-3.1A)
None
None
 1.26A 4zvmA-1g8kA:
undetectable
4zvmB-1g8kA:
2.4		 4zvmA-1g8kA:
14.95
4zvmB-1g8kA:
14.95
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		5 GLY A  85
GLY A  86
THR A  87
GLU A 342
ILE A 341
 None
 1.27A 4zvmA-1gkpA:
undetectable
4zvmB-1gkpA:
undetectable		 4zvmA-1gkpA:
19.91
4zvmB-1gkpA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		5 GLY A   8
ASN A 360
ILE A  36
PHE A  47
ILE A  54
 None
 1.25A 4zvmA-1jofA:
undetectable
4zvmB-1jofA:
undetectable		 4zvmA-1jofA:
22.44
4zvmB-1jofA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pxt PEROXISOMAL
3-KETOACYL-COA
THIOLASE

(Saccharomyces
cerevisiae) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 GLY A 128
GLY A 381
THR A 380
ILE A 404
PHE A 305
 None
 1.25A 4zvmA-1pxtA:
undetectable
4zvmB-1pxtA:
undetectable		 4zvmA-1pxtA:
18.97
4zvmB-1pxtA:
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.
1q3s THERMOSOME ALPHA
SUBUNIT

(Thermococcus
sp. JCM 11816) 		PF00118
(Cpn60_TCP1) 		5 GLY A 431
GLU A 438
ILE A 437
GLN A 117
ILE A 119
 None
 1.04A 4zvmA-1q3sA:
undetectable
4zvmB-1q3sA:
undetectable		 4zvmA-1q3sA:
17.84
4zvmB-1q3sA:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 GLY A  71
GLY A  72
ILE A  59
PHE A  23
PHE A  37
 None
 0.80A 4zvmA-1qnhA:
undetectable
4zvmB-1qnhA:
undetectable		 4zvmA-1qnhA:
21.76
4zvmB-1qnhA:
21.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  16
THR A  15
ILE A  66
ILE A  63
PHE A  50
 NAD  A 360 (-3.4A)
None
NAD  A 360 (-3.7A)
None
None
 1.24A 4zvmA-1rkxA:
4.8
4zvmB-1rkxA:
5.1		 4zvmA-1rkxA:
22.19
4zvmB-1rkxA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rkx CDP-GLUCOSE-4,6-DEHY
DRATASE

(Yersinia
pseudotuberculosis) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  38
THR A  18
GLU A  62
ILE A  63
ILE A  66
 None
NAD  A 360 (-3.6A)
None
None
NAD  A 360 (-3.7A)
 1.18A 4zvmA-1rkxA:
4.8
4zvmB-1rkxA:
5.1		 4zvmA-1rkxA:
22.19
4zvmB-1rkxA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 GLY A1075
GLY A1072
THR A1071
PHE A1105
ILE A1108
 None
 1.26A 4zvmA-1rpmA:
undetectable
4zvmB-1rpmA:
undetectable		 4zvmA-1rpmA:
21.85
4zvmB-1rpmA:
21.85
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.
1tnd TRANSDUCIN

(Bos taurus) 		PF00503
(G-alpha) 		5 GLY A 199
GLY A 198
THR A 177
PHE A 219
ILE A 220
 GSP  A 351 (-3.6A)
GSP  A 351 (-3.6A)
MG  A 352 ( 3.3A)
None
None
 1.10A 4zvmA-1tndA:
6.4
4zvmB-1tndA:
6.8		 4zvmA-1tndA:
20.72
4zvmB-1tndA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u0u DIHYDROPINOSYLVIN
SYNTHASE

(Pinus
sylvestris) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 309
GLY A 308
PHE A 268
ILE A 257
PHE A 218
 None
 1.23A 4zvmA-1u0uA:
undetectable
4zvmB-1u0uA:
undetectable		 4zvmA-1u0uA:
20.10
4zvmB-1u0uA:
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.
1vlj NADH-DEPENDENT
BUTANOL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 GLY A 219
THR A 220
GLU A 215
ILE A 216
GLN A 304
 None
 1.26A 4zvmA-1vljA:
4.2
4zvmB-1vljA:
4.8		 4zvmA-1vljA:
19.28
4zvmB-1vljA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xou ESPA
Z5138 GENE PRODUCT

(Escherichia
coli) 		PF03433
(EspA)
PF11439
(T3SchapCesA) 		5 THR A 166
GLU B  20
ILE B  17
PHE A  42
ILE A  46
 None
 1.25A 4zvmA-1xouA:
undetectable
4zvmB-1xouA:
undetectable		 4zvmA-1xouA:
21.29
4zvmB-1xouA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yjk PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01082
(Cu2_monooxygen)
PF03712
(Cu2_monoox_C) 		5 GLY A 159
GLY A 163
THR A 162
ASN A 115
PHE A 167
 None
GOL  A 702 (-3.3A)
None
None
None
 1.27A 4zvmA-1yjkA:
undetectable
4zvmB-1yjkA:
undetectable		 4zvmA-1yjkA:
21.38
4zvmB-1yjkA:
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.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 GLY A 106
GLY A 107
ILE A  94
PHE A  59
PHE A  73
 None
 0.90A 4zvmA-1z81A:
undetectable
4zvmB-1z81A:
undetectable		 4zvmA-1z81A:
20.16
4zvmB-1z81A:
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.
2cb5 PROTEIN (BLEOMYCIN
HYDROLASE)

(Homo sapiens) 		PF03051
(Peptidase_C1_2) 		5 TRP A  74
THR A 170
MET A 177
ASN A 178
GLU A 167
 None
 1.14A 4zvmA-2cb5A:
undetectable
4zvmB-2cb5A:
undetectable		 4zvmA-2cb5A:
18.48
4zvmB-2cb5A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 GLY A  50
THR A 432
GLU A 459
ILE A 457
ILE A  45
 GLC  A1769 (-3.6A)
None
GLC  A1769 ( 4.6A)
None
None
 1.15A 4zvmA-2cn3A:
undetectable
4zvmB-2cn3A:
undetectable		 4zvmA-2cn3A:
15.10
4zvmB-2cn3A:
15.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 GLY A 126
GLY A 125
ILE A 192
GLN A 152
PHE A 136
 None
 1.23A 4zvmA-2fepA:
5.3
4zvmB-2fepA:
5.8		 4zvmA-2fepA:
25.08
4zvmB-2fepA:
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
BETA-CHAIN,
MITOCHONDRIAL

(Sus scrofa) 		PF00549
(Ligase_CoA)
PF08442
(ATP-grasp_2) 		5 GLY B 299
GLY B 298
ILE B 329
PHE B 269
ILE B 325
 None
 1.17A 4zvmA-2fpgB:
3.6
4zvmB-2fpgB:
4.1		 4zvmA-2fpgB:
21.27
4zvmB-2fpgB:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g7c TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		5 GLY A  34
THR A  33
PHE A  64
ILE A  59
PHE A  66
 None
 1.23A 4zvmA-2g7cA:
undetectable
4zvmB-2g7cA:
undetectable		 4zvmA-2g7cA:
22.26
4zvmB-2g7cA:
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.
2g7c TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		5 GLY A 126
THR A 125
PHE A 156
ILE A 151
PHE A 158
 None
 1.20A 4zvmA-2g7cA:
undetectable
4zvmB-2g7cA:
undetectable		 4zvmA-2g7cA:
22.26
4zvmB-2g7cA:
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.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A  16
GLY A 248
THR A 249
ILE A  18
GLN A 118
 None
 1.27A 4zvmA-2i5gA:
undetectable
4zvmB-2i5gA:
undetectable		 4zvmA-2i5gA:
21.86
4zvmB-2i5gA:
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.
2i71 HYPOTHETICAL PROTEIN

(Sulfolobus
solfataricus) 		PF09455
(Cas_DxTHG) 		5 GLY A 352
THR A 353
GLU A 372
ILE A 373
ILE A 341
 None
 1.10A 4zvmA-2i71A:
undetectable
4zvmB-2i71A:
3.0		 4zvmA-2i71A:
21.18
4zvmB-2i71A:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o01 PSI LIGHT-HARVESTING
ANTENNA CHLOROPHYLL
A/B-BINDING PROTEIN

(Pisum sativum) 		PF00504
(Chloroa_b-bind) 		5 GLU 4 102
ILE 4 103
GLN 4  42
ILE 4 109
PHE 4  40
 CLA  44012 (-2.9A)
CLA  41304 (-4.1A)
CLA  44011 (-2.9A)
None
None
 1.00A 4zvmA-2o014:
undetectable
4zvmB-2o014:
undetectable		 4zvmA-2o014:
22.73
4zvmB-2o014:
22.73
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.
2pbi GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5
REGULATOR OF
G-PROTEIN SIGNALING
9

(Mus musculus) 		PF00400
(WD40)
PF00610
(DEP)
PF00615
(RGS)
PF00631
(G-gamma) 		5 GLY A  74
ILE A  83
PHE A  16
ILE A  20
PHE B 284
 None
 1.21A 4zvmA-2pbiA:
undetectable
4zvmB-2pbiA:
undetectable		 4zvmA-2pbiA:
19.16
4zvmB-2pbiA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qj6 TOXIN A

(Clostridioides
difficile) 		PF01473
(CW_binding_1) 		5 GLY A 108
THR A 107
PHE A 138
ILE A 133
PHE A 140
 GLY  A 108 ( 0.0A)
THR  A 107 ( 0.8A)
PHE  A 138 ( 1.3A)
ILE  A 133 ( 0.7A)
PHE  A 140 ( 1.3A)
 1.09A 4zvmA-2qj6A:
undetectable
4zvmB-2qj6A:
undetectable		 4zvmA-2qj6A:
21.45
4zvmB-2qj6A:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 GLY A 155
GLY A 154
THR A 169
ASN A 215
ILE A 167
 None
 1.20A 4zvmA-3a9gA:
undetectable
4zvmB-3a9gA:
undetectable		 4zvmA-3a9gA:
20.89
4zvmB-3a9gA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a9g PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrobaculum
aerophilum) 		PF07995
(GSDH) 		5 GLY A 155
GLY A 154
THR A 169
ILE A 167
ILE A 219
 None
 1.22A 4zvmA-3a9gA:
undetectable
4zvmB-3a9gA:
undetectable		 4zvmA-3a9gA:
20.89
4zvmB-3a9gA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3blw ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		5 GLY A 255
THR A 289
ILE A 329
PHE A 110
ILE A 251
 AMP  A2001 ( 4.2A)
None
None
None
None
 1.27A 4zvmA-3blwA:
2.2
4zvmB-3blwA:
3.0		 4zvmA-3blwA:
20.27
4zvmB-3blwA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 GLY A  60
GLY A  59
THR A  58
GLU A  65
ILE A 113
 None
None
None
CA  A 401 (-2.0A)
None
 1.22A 4zvmA-3cdxA:
2.0
4zvmB-3cdxA:
2.2		 4zvmA-3cdxA:
21.10
4zvmB-3cdxA:
21.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3foa TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N) 		5 THR A 147
ASN A 144
GLU A 100
ILE A 187
ILE A  95
 None
 1.27A 4zvmA-3foaA:
3.2
4zvmB-3foaA:
3.4		 4zvmA-3foaA:
18.56
4zvmB-3foaA:
18.56
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.
3j2n TAIL SHEATH PROTEIN
GP18

(Escherichia
virus T4) 		PF04984
(Phage_sheath_1)
PF17481
(Phage_sheath_1N)
PF17482
(Phage_sheath_1C) 		5 THR U 147
ASN U 144
GLU U 100
ILE U 187
ILE U  95
 None
 1.27A 4zvmA-3j2nU:
3.0
4zvmB-3j2nU:
3.5		 4zvmA-3j2nU:
15.58
4zvmB-3j2nU:
15.58
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.
3jaz VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 GLY D 106
GLY D 109
ILE D 111
ILE D 203
PHE D  15
 None
 1.19A 4zvmA-3jazD:
undetectable
4zvmB-3jazD:
undetectable		 4zvmA-3jazD:
18.96
4zvmB-3jazD:
18.96
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.
3kqf ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		5 GLY A 113
GLY A  67
GLU A 116
ILE A  88
ILE A 141
 None
 1.24A 4zvmA-3kqfA:
undetectable
4zvmB-3kqfA:
undetectable		 4zvmA-3kqfA:
21.86
4zvmB-3kqfA:
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.
3l0z PUTATIVE
NICOTINATE-NUCLEOTID
E-DIMETHYLBENZIMIDAZ
OLE
PHOSPHORIBOSYLTRANSF
ERASE

(Methanocaldococcus
jannaschii) 		PF02277
(DBI_PRT) 		5 GLY A 238
GLY A 239
THR A 240
ILE A 264
PHE A 295
 None
 1.23A 4zvmA-3l0zA:
2.2
4zvmB-3l0zA:
2.6		 4zvmA-3l0zA:
21.15
4zvmB-3l0zA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lew SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 GLY A 101
GLY A 102
THR A 103
ASN A  59
ILE A  97
 None
None
None
1PE  A  12 (-3.9A)
None
 1.24A 4zvmA-3lewA:
undetectable
4zvmB-3lewA:
undetectable		 4zvmA-3lewA:
20.05
4zvmB-3lewA:
20.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m0o MONOMERIC SARCOSINE
OXIDASE

(Bacillus sp.
B-0618) 		PF01266
(DAO) 		5 GLY A 352
GLY A 354
PHE A 325
ILE A 327
PHE A 342
 None
None
None
None
FAD  A 400 (-4.8A)
 1.16A 4zvmA-3m0oA:
undetectable
4zvmB-3m0oA:
undetectable		 4zvmA-3m0oA:
23.12
4zvmB-3m0oA:
23.12
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.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 GLY A 161
GLY A 139
THR A  12
ILE A  44
ILE A 166
 None
SO4  A 317 (-3.8A)
SO4  A 317 (-4.0A)
None
None
 1.27A 4zvmA-3mdqA:
undetectable
4zvmB-3mdqA:
undetectable		 4zvmA-3mdqA:
21.05
4zvmB-3mdqA:
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.
3ngx BIFUNCTIONAL PROTEIN
FOLD

(Thermoplasma
acidophilum) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 GLY A 251
GLY A 252
GLU A   7
ILE A   3
PHE A 236
 None
 1.05A 4zvmA-3ngxA:
5.7
4zvmB-3ngxA:
4.7		 4zvmA-3ngxA:
21.86
4zvmB-3ngxA:
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.
3o5s BETA-GLUCANASE

(Bacillus
subtilis) 		PF00722
(Glyco_hydro_16) 		5 GLY A  32
GLY A  31
THR A  30
ILE A 207
PHE A  45
 None
 1.25A 4zvmA-3o5sA:
undetectable
4zvmB-3o5sA:
undetectable		 4zvmA-3o5sA:
21.03
4zvmB-3o5sA:
21.03
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.
3o7t CYCLOPHILIN A

(Moniliophthora
perniciosa) 		PF00160
(Pro_isomerase) 		5 GLY A  62
GLY A  63
ILE A  50
PHE A  20
PHE A  34
 None
 0.77A 4zvmA-3o7tA:
undetectable
4zvmB-3o7tA:
undetectable		 4zvmA-3o7tA:
24.14
4zvmB-3o7tA:
24.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 GLY A 388
THR A 367
ILE A  46
GLN A  57
ILE A  54
 None
 1.17A 4zvmA-3om5A:
undetectable
4zvmB-3om5A:
undetectable		 4zvmA-3om5A:
18.50
4zvmB-3om5A:
18.50
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.
3om5 LEVANSUCRASE

(Bacillus
megaterium) 		PF02435
(Glyco_hydro_68) 		5 GLY A 388
THR A 367
ILE A  46
GLN A  57
PHE A  63
 None
 0.91A 4zvmA-3om5A:
undetectable
4zvmB-3om5A:
undetectable		 4zvmA-3om5A:
18.50
4zvmB-3om5A:
18.50
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.
3oqn CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 GLY A 126
GLY A 125
ILE A 192
GLN A 152
PHE A 136
 None
 1.22A 4zvmA-3oqnA:
3.9
4zvmB-3oqnA:
5.6		 4zvmA-3oqnA:
25.57
4zvmB-3oqnA:
25.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pta DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC) 		5 GLY A1297
THR A1295
ASN A1353
ILE A1315
ILE A1588
 None
 1.10A 4zvmA-3ptaA:
3.1
4zvmB-3ptaA:
3.7		 4zvmA-3ptaA:
13.56
4zvmB-3ptaA:
13.56
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.
3r6h ENOYL-COA HYDRATASE,
ECHA3

(Mycobacterium
marinum) 		PF00378
(ECH_1) 		5 GLY A  81
GLY A  82
MET A 107
ILE A 225
ILE A 218
 None
 1.07A 4zvmA-3r6hA:
undetectable
4zvmB-3r6hA:
undetectable		 4zvmA-3r6hA:
22.05
4zvmB-3r6hA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r89 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Anaerococcus
prevotii) 		PF00215
(OMPdecase) 		5 GLY A 243
GLY A 244
PHE A 121
ILE A  59
PHE A 148
 None
 1.01A 4zvmA-3r89A:
undetectable
4zvmB-3r89A:
undetectable		 4zvmA-3r89A:
24.26
4zvmB-3r89A:
24.26
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.
3rfr PMOB

(Methylocystis
sp. M) 		PF04744
(Monooxygenase_B) 		5 TRP A  45
GLY A  88
ASN A 139
PHE A 120
ILE A 122
 None
 1.21A 4zvmA-3rfrA:
undetectable
4zvmB-3rfrA:
undetectable		 4zvmA-3rfrA:
20.66
4zvmB-3rfrA:
20.66
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 GLY A  84
GLY A  85
THR A  86
GLU A 343
ILE A 342
 None
 1.23A 4zvmA-3sfwA:
undetectable
4zvmB-3sfwA:
undetectable		 4zvmA-3sfwA:
19.23
4zvmB-3sfwA:
19.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3te7 RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE]

(Homo sapiens) 		PF02525
(Flavodoxin_2) 		8 TRP A 105
GLY A 149
GLY A 150
THR A 151
MET A 154
ASN A 161
GLU A 193
ILE A 194
 FAD  A 232 ( 4.3A)
FAD  A 232 (-3.6A)
FAD  A 232 (-3.6A)
None
None
None
FAD  A 232 ( 3.1A)
None
 0.38A 4zvmA-3te7A:
38.8
4zvmB-3te7A:
39.6		 4zvmA-3te7A:
100.00
4zvmB-3te7A:
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.
3v98 ARACHIDONATE
5-LIPOXYGENASE

(Homo sapiens) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 GLY A 430
GLY A 431
THR A 427
ILE A 415
PHE A 151
 None
 1.07A 4zvmA-3v98A:
undetectable
4zvmB-3v98A:
undetectable		 4zvmA-3v98A:
15.87
4zvmB-3v98A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 238
GLY A 239
ILE A 201
PHE A  49
PHE A  45
 LLP  A  61 ( 4.8A)
LLP  A  61 ( 3.6A)
None
None
None
 1.19A 4zvmA-3vabA:
undetectable
4zvmB-3vabA:
undetectable		 4zvmA-3vabA:
20.75
4zvmB-3vabA:
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.
4ayj BOGT -
METAL-INDEPENDENT
GLYCOSYLTRANSFERASE

(Bacteroides
ovatus) 		PF03414
(Glyco_transf_6) 		5 GLY A 161
GLY A 160
PHE A  28
ILE A 108
PHE A  94
 None
 1.17A 4zvmA-4ayjA:
undetectable
4zvmB-4ayjA:
undetectable		 4zvmA-4ayjA:
20.23
4zvmB-4ayjA:
20.23
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.
4bzi SEC23P

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 GLY A 416
THR A 442
ASN A 431
ILE A 439
PHE A 489
 None
 1.27A 4zvmA-4bziA:
5.0
4zvmB-4bziA:
5.0		 4zvmA-4bziA:
14.50
4zvmB-4bziA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d25 BMVLG PROTEIN

(Bombyx mori) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 GLY A 401
GLY A 400
THR A 375
ILE A 512
ILE A 519
 None
 1.27A 4zvmA-4d25A:
undetectable
4zvmB-4d25A:
2.2		 4zvmA-4d25A:
18.85
4zvmB-4d25A:
18.85
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.
4epu ANGIOPOIETIN-1

(Homo sapiens) 		PF00147
(Fibrinogen_C) 		5 GLY A 446
GLY A 445
THR A 444
GLN A 328
PHE A 348
 None
 1.14A 4zvmA-4epuA:
undetectable
4zvmB-4epuA:
undetectable		 4zvmA-4epuA:
19.68
4zvmB-4epuA:
19.68
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.
4fn7 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 GLY A  81
GLY A  82
MET A 107
ILE A 225
ILE A 218
 None
 1.08A 4zvmA-4fn7A:
undetectable
4zvmB-4fn7A:
undetectable		 4zvmA-4fn7A:
22.43
4zvmB-4fn7A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gdn PROTEIN FLP

(Staphylococcus
aureus) 		PF00144
(Beta-lactamase) 		5 GLY A 199
ASN A 169
ILE A 106
PHE A 229
ILE A 214
 None
 1.26A 4zvmA-4gdnA:
undetectable
4zvmB-4gdnA:
undetectable		 4zvmA-4gdnA:
21.41
4zvmB-4gdnA:
21.41
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.
4gk9 AGGLUTININ (BOA)

(Burkholderia
oklahomensis) 		no annotation 5 GLY A  29
GLY A  28
ASN A  16
ILE A 230
PHE A 136
 None
 1.18A 4zvmA-4gk9A:
undetectable
4zvmB-4gk9A:
undetectable		 4zvmA-4gk9A:
22.15
4zvmB-4gk9A:
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.
4hjw URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Metarhizium
anisopliae) 		PF04909
(Amidohydro_2) 		5 GLY A 321
THR A 322
ILE A  89
PHE A 134
PHE A 193
 None
 1.27A 4zvmA-4hjwA:
undetectable
4zvmB-4hjwA:
undetectable		 4zvmA-4hjwA:
21.20
4zvmB-4hjwA:
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.
4ix8 TYROSINE
AMINOTRANSFERASE

(Leishmania
infantum) 		PF00155
(Aminotran_1_2) 		5 GLY A 282
GLY A 283
THR A 284
PHE A 266
PHE A 129
 None
 1.23A 4zvmA-4ix8A:
2.4
4zvmB-4ix8A:
2.6		 4zvmA-4ix8A:
18.49
4zvmB-4ix8A:
18.49
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 GLY A  12
GLY A  13
ILE A  21
PHE A  74
PHE A  73
 None
 1.22A 4zvmA-4jroA:
6.2
4zvmB-4jroA:
6.5		 4zvmA-4jroA:
21.71
4zvmB-4jroA:
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.
4kqn D-HYDANTOINASE

(Bacillus sp.
AR9) 		PF01979
(Amidohydro_1) 		5 GLY A  84
GLY A  85
THR A  86
GLU A 343
ILE A 342
 GLY  A  84 ( 0.0A)
GLY  A  85 ( 0.0A)
THR  A  86 ( 0.8A)
GLU  A 343 ( 0.6A)
ILE  A 342 ( 0.6A)
 1.19A 4zvmA-4kqnA:
undetectable
4zvmB-4kqnA:
undetectable		 4zvmA-4kqnA:
20.17
4zvmB-4kqnA:
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.
4ks8 SERINE/THREONINE-PRO
TEIN KINASE PAK 6

(Homo sapiens) 		PF00069
(Pkinase) 		5 GLY A 588
MET A 638
GLU A 593
ILE A 592
ILE A 503
 None
 1.24A 4zvmA-4ks8A:
undetectable
4zvmB-4ks8A:
undetectable		 4zvmA-4ks8A:
21.12
4zvmB-4ks8A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lis UDP-GLUCOSE
4-EPIMERASE

(Aspergillus
nidulans) 		PF16363
(GDP_Man_Dehyd) 		5 GLY A  11
GLY A  10
THR A   9
ILE A  82
ILE A  15
 None
NAD  A 402 ( 3.8A)
None
None
NAD  A 402 (-3.9A)
 1.26A 4zvmA-4lisA:
5.7
4zvmB-4lisA:
3.9		 4zvmA-4lisA:
21.13
4zvmB-4lisA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1b POLYSACCHARIDE
DEACETYLASE

(Bacillus
anthracis) 		PF01522
(Polysacc_deac_1) 		5 GLY A  52
THR A 246
ILE A 243
GLN A 236
ILE A 237
 None
 1.23A 4zvmA-4m1bA:
undetectable
4zvmB-4m1bA:
undetectable		 4zvmA-4m1bA:
20.50
4zvmB-4m1bA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n80 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A  74
THR A  76
ILE A  33
PHE A 111
ILE A  69
 None
 1.10A 4zvmA-4n80A:
undetectable
4zvmB-4n80A:
undetectable		 4zvmA-4n80A:
19.70
4zvmB-4n80A:
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.
4noo VGRG PROTEIN

(Vibrio cholerae) 		no annotation 5 GLY A 922
MET A 959
GLN A 914
ILE A 950
PHE A 925
 None
 1.17A 4zvmA-4nooA:
undetectable
4zvmB-4nooA:
undetectable		 4zvmA-4nooA:
20.17
4zvmB-4nooA:
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.
4nso EFFECTOR PROTEIN

(Vibrio cholerae) 		no annotation 5 GLY A 922
MET A 959
GLN A 914
ILE A 950
PHE A 925
 None
 1.14A 4zvmA-4nsoA:
undetectable
4zvmB-4nsoA:
undetectable		 4zvmA-4nsoA:
19.94
4zvmB-4nsoA:
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.
4p0j INTERLEUKIN-36
RECEPTOR
ANTAGONIST/INTERLEUK
IN-36 GAMMA CHIMERA
PROTEIN

(Homo sapiens) 		PF00340
(IL1) 		5 GLY A  63
GLY A  64
ASN A  84
GLU A  41
ILE A  42
 None
 0.94A 4zvmA-4p0jA:
undetectable
4zvmB-4p0jA:
undetectable		 4zvmA-4p0jA:
21.66
4zvmB-4p0jA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pbq PUTATIVE TRAP
PERIPLASMIC SOLUTE
BINDING PROTEIN

(Haemophilus
influenzae) 		PF03480
(DctP) 		5 GLY A  31
GLY A  88
ILE A  85
ILE A  28
PHE A  48
 None
None
MES  A 403 (-4.6A)
None
None
 1.25A 4zvmA-4pbqA:
undetectable
4zvmB-4pbqA:
undetectable		 4zvmA-4pbqA:
20.66
4zvmB-4pbqA:
20.66
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.
4pvi GH62 HYDROLASE

(Mycothermus
thermophilus) 		PF03664
(Glyco_hydro_62) 		5 GLY A 346
THR A  37
ILE A 348
ILE A 307
PHE A  84
 None
 1.16A 4zvmA-4pviA:
undetectable
4zvmB-4pviA:
undetectable		 4zvmA-4pviA:
23.80
4zvmB-4pviA:
23.80
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		5 GLY A 447
GLY A 448
THR A 730
ILE A 450
ILE A 514
 None
 1.16A 4zvmA-4qi6A:
undetectable
4zvmB-4qi6A:
2.6		 4zvmA-4qi6A:
14.10
4zvmB-4qi6A:
14.10
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLY A  10
GLY A  13
GLU A  31
ILE A  29
GLN A 228
 FAD  A 501 (-3.4A)
None
FAD  A 501 (-2.7A)
None
None
 1.25A 4zvmA-4repA:
3.6
4zvmB-4repA:
3.6		 4zvmA-4repA:
18.44
4zvmB-4repA:
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.
4tlg SEC14-LIKE PROTEIN 4

(Homo sapiens) 		PF00650
(CRAL_TRIO) 		5 GLY A 242
GLY A 243
THR A 244
ILE A 232
PHE A 100
 None
 0.86A 4zvmA-4tlgA:
undetectable
4zvmB-4tlgA:
undetectable		 4zvmA-4tlgA:
19.40
4zvmB-4tlgA:
19.40
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.
4w8k CAS1 PROTEIN

(Vibrio phage
ICP1) 		PF01867
(Cas_Cas1) 		5 GLY A 205
THR A 203
PHE A  47
ILE A  15
PHE A  72
 None
 1.25A 4zvmA-4w8kA:
undetectable
4zvmB-4w8kA:
undetectable		 4zvmA-4w8kA:
21.34
4zvmB-4w8kA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wj3 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Pseudomonas
aeruginosa) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 GLY M 531
GLY M 530
THR M 239
ILE M 237
ILE M 248
 None
 1.18A 4zvmA-4wj3M:
undetectable
4zvmB-4wj3M:
undetectable		 4zvmA-4wj3M:
17.29
4zvmB-4wj3M:
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.
4wxx DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Homo sapiens) 		PF00145
(DNA_methylase)
PF01426
(BAH)
PF02008
(zf-CXXC)
PF12047
(DNMT1-RFD) 		5 GLY A1297
THR A1295
ASN A1353
ILE A1315
ILE A1588
 None
 1.05A 4zvmA-4wxxA:
3.1
4zvmB-4wxxA:
3.6		 4zvmA-4wxxA:
11.01
4zvmB-4wxxA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xci THERMOSOME SUBUNIT
ALPHA

(Sulfolobus
solfataricus) 		PF00118
(Cpn60_TCP1) 		5 GLY A 436
GLU A 443
ILE A 442
GLN A 113
ILE A 115
 None
 1.14A 4zvmA-4xciA:
undetectable
4zvmB-4xciA:
undetectable		 4zvmA-4xciA:
16.90
4zvmB-4xciA:
16.90
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.
4y0a SHIKIMATE KINASE

(Acinetobacter
baumannii) 		PF01202
(SKI) 		5 GLY A  96
GLY A  95
THR A  94
ILE A  99
PHE A  65
 SKM  A 201 (-3.1A)
SKM  A 201 ( 2.8A)
None
None
SKM  A 201 ( 4.6A)
 1.06A 4zvmA-4y0aA:
2.8
4zvmB-4y0aA:
2.4		 4zvmA-4y0aA:
19.15
4zvmB-4y0aA:
19.15
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.
4z1x LAGLIDADG
ENDONUCLEASE

(Fusarium
graminearum) 		PF00961
(LAGLIDADG_1) 		5 GLY A 172
GLY A  14
THR A  13
PHE A 210
ILE A 164
 None
 1.17A 4zvmA-4z1xA:
undetectable
4zvmB-4z1xA:
undetectable		 4zvmA-4z1xA:
20.00
4zvmB-4z1xA:
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.
5bwd BENZYLSUCCINATE
SYNTHASE ALPHA CHAIN

(Thauera
aromatica) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 GLY A 511
GLY A 512
ASN A 615
GLU A 510
ILE A 570
 None
FUM  A 901 (-3.5A)
FUM  A 901 (-3.6A)
None
None
 1.25A 4zvmA-5bwdA:
undetectable
4zvmB-5bwdA:
undetectable		 4zvmA-5bwdA:
13.21
4zvmB-5bwdA:
13.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5esp I-PANMI

(Podospora
anserina) 		PF00961
(LAGLIDADG_1) 		5 GLY A  15
ASN A   9
ILE A  98
PHE A  62
PHE A  61
 None
 1.14A 4zvmA-5espA:
undetectable
4zvmB-5espA:
undetectable		 4zvmA-5espA:
21.94
4zvmB-5espA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eyw TRIOSEPHOSPHATE
ISOMERASE

(Litopenaeus
vannamei) 		PF00121
(TIM) 		5 GLY A 210
GLY A 211
THR A 176
PHE A 241
ILE A 244
 None
PGA  A 301 ( 3.8A)
None
None
None
 1.16A 4zvmA-5eywA:
undetectable
4zvmB-5eywA:
undetectable		 4zvmA-5eywA:
22.14
4zvmB-5eywA:
22.14
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.
5gut DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1

(Mus musculus) 		PF00145
(DNA_methylase)
PF01426
(BAH) 		5 GLY A1300
THR A1298
ASN A1356
ILE A1318
ILE A1590
 None
 1.05A 4zvmA-5gutA:
3.5
4zvmB-5gutA:
4.3		 4zvmA-5gutA:
14.40
4zvmB-5gutA:
14.40
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.
5ham RICKCE

(Rickettsia
bellii) 		no annotation 5 GLY A 606
THR A 604
ILE A 601
GLN A 577
ILE A 578
 None
 1.14A 4zvmA-5hamA:
undetectable
4zvmB-5hamA:
undetectable		 4zvmA-5hamA:
23.16
4zvmB-5hamA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hws 2-DEHYDROPANTOATE
2-REDUCTASE

(Thermococcus
kodakarensis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A 118
GLY A 117
PHE A  15
ILE A  70
PHE A 160
 None
 1.27A 4zvmA-5hwsA:
4.3
4zvmB-5hwsA:
4.7		 4zvmA-5hwsA:
20.62
4zvmB-5hwsA:
20.62
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.
5la7 HEPARANASE

(Homo sapiens) 		PF03662
(Glyco_hydro_79n) 		5 GLY A  95
GLY A  96
THR A  97
ASN A  64
GLU A 221
 None
6S6  A 613 (-3.2A)
6S6  A 613 (-4.1A)
None
None
 1.17A 4zvmA-5la7A:
undetectable
4zvmB-5la7A:
undetectable		 4zvmA-5la7A:
18.09
4zvmB-5la7A:
18.09
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.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 GLY A  99
GLY A 100
THR A 101
GLU A 359
ILE A 358
 GLY  A  99 ( 0.0A)
GLY  A 100 ( 0.0A)
THR  A 101 ( 0.8A)
GLU  A 359 ( 0.6A)
ILE  A 358 ( 0.7A)
 1.24A 4zvmA-5nksA:
undetectable
4zvmB-5nksA:
undetectable		 4zvmA-5nksA:
18.43
4zvmB-5nksA:
18.43
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.
5w19 TRYPTOPHANASE

(Proteus
vulgaris) 		no annotation 5 GLY A 351
THR A 350
GLU A 229
ILE A 329
ILE A 417
 None
 1.23A 4zvmA-5w19A:
undetectable
4zvmB-5w19A:
2.5		 4zvmA-5w19A:
16.96
4zvmB-5w19A:
16.96
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.
5wm0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		no annotation 5 GLY A 159
GLY A 163
THR A 162
ASN A 115
PHE A 167
 None
 1.19A 4zvmA-5wm0A:
undetectable
4zvmB-5wm0A:
undetectable		 4zvmA-5wm0A:
undetectable
4zvmB-5wm0A:
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		5 GLY A 721
GLY A 603
GLU A 724
ILE A 725
PHE A 523
 None
 1.19A 4zvmA-5xmcA:
undetectable
4zvmB-5xmcA:
undetectable		 4zvmA-5xmcA:
16.30
4zvmB-5xmcA:
16.30
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.
5z96 SHORT TRANSIENT
RECEPTOR POTENTIAL
CHANNEL 4

(Mus musculus) 		no annotation 5 TRP A 422
GLY A 651
THR A 652
ASN A 658
GLU A 648
 None
 1.09A 4zvmA-5z96A:
undetectable
4zvmB-5z96A:
undetectable		 4zvmA-5z96A:
17.17
4zvmB-5z96A:
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.
6bo6 -

(-) 		no annotation 5 GLY A 358
ILE A 328
GLN A 559
PHE A 303
PHE A 301
 None
 1.23A 4zvmA-6bo6A:
undetectable
4zvmB-6bo6A:
undetectable		 4zvmA-6bo6A:
undetectable
4zvmB-6bo6A:
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.
6cn1 UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Pseudomonas
putida) 		no annotation 5 GLY A 324
THR A 323
ILE A 356
GLN A 310
ILE A 314
 None
 1.21A 4zvmA-6cn1A:
undetectable
4zvmB-6cn1A:
undetectable		 4zvmA-6cn1A:
18.36
4zvmB-6cn1A:
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 GLY A 317
GLY A 116
ILE A 310
PHE A 353
PHE A 323
 None
 1.21A 4zvmA-6d0nA:
undetectable
4zvmB-6d0nA:
undetectable		 4zvmA-6d0nA:
17.83
4zvmB-6d0nA:
17.83