SIMILAR PATTERNS OF AMINO ACIDS FOR 4ZVM_B_DM2B303

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.
1dci DIENOYL-COA
ISOMERASE

(Rattus
norvegicus) 		PF00378
(ECH_1) 		5 PHE A 191
GLY A 172
GLY A 174
GLU A 196
ILE A 117
 None
 1.43A 4zvmA-1dciA:
undetectable
4zvmB-1dciA:
undetectable		 4zvmA-1dciA:
22.38
4zvmB-1dciA:
22.38
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 VAL A 138
PHE A 158
GLY A 200
GLY A 205
ILE A 231
 None
 1.13A 4zvmA-1jkmA:
3.2
4zvmB-1jkmA:
3.7		 4zvmA-1jkmA:
20.17
4zvmB-1jkmA:
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 5 VAL B 185
GLY B 253
GLY B 251
MET B  23
ILE B 213
 None
 1.11A 4zvmA-1p3wB:
3.2
4zvmB-1p3wB:
3.7		 4zvmA-1p3wB:
20.91
4zvmB-1p3wB:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qnh PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Plasmodium
falciparum) 		PF00160
(Pro_isomerase) 		5 PHE A  23
PHE A  37
GLY A  71
GLY A  72
ILE A  59
 None
 0.91A 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.
1tdk L-AMINO ACID OXIDASE

(Gloydius halys) 		PF01593
(Amino_oxidase) 		5 VAL A 215
PHE A  11
ASN A   5
GLU A 209
ILE A 203
 None
 1.46A 4zvmA-1tdkA:
3.2
4zvmB-1tdkA:
3.5		 4zvmA-1tdkA:
17.58
4zvmB-1tdkA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 221
PHE A  65
GLY A 262
GLY A 263
ILE A 225
 None
None
LLP  A  83 ( 4.6A)
LLP  A  83 ( 3.9A)
None
 1.40A 4zvmA-1tufA:
undetectable
4zvmB-1tufA:
undetectable		 4zvmA-1tufA:
19.47
4zvmB-1tufA:
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 221
PHE A  76
GLY A 262
GLY A 263
ILE A 225
 None
None
LLP  A  83 ( 4.6A)
LLP  A  83 ( 3.9A)
None
 1.27A 4zvmA-1tufA:
undetectable
4zvmB-1tufA:
undetectable		 4zvmA-1tufA:
19.47
4zvmB-1tufA:
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.
1tuf DIAMINOPIMELATE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 259
PHE A  65
GLY A 263
GLY A 264
ILE A 225
 None
None
LLP  A  83 ( 3.9A)
LLP  A  83 ( 3.4A)
None
 1.16A 4zvmA-1tufA:
undetectable
4zvmB-1tufA:
undetectable		 4zvmA-1tufA:
19.47
4zvmB-1tufA:
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT

(Homo sapiens) 		PF13472
(Lipase_GDSL_2) 		5 VAL A  50
PHE A 192
GLY A 201
GLY A 200
ILE A  58
 None
 1.49A 4zvmA-1vyhA:
4.4
4zvmB-1vyhA:
2.5		 4zvmA-1vyhA:
23.60
4zvmB-1vyhA:
23.60
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 PHE A 391
PHE A 711
TRP A 590
GLY A 582
ILE A 702
 None
 1.36A 4zvmA-1w6jA:
undetectable
4zvmB-1w6jA:
undetectable		 4zvmA-1w6jA:
17.08
4zvmB-1w6jA:
17.08
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 VAL B  77
PHE B  53
PHE A 191
GLY B  63
GLY B  61
 None
PEG  A1369 ( 4.2A)
PEG  A1369 (-4.8A)
None
None
 1.15A 4zvmA-1w85B:
5.0
4zvmB-1w85B:
5.5		 4zvmA-1w85B:
20.18
4zvmB-1w85B:
20.18
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.
1w8j MYOSIN VA

(Gallus gallus) 		PF00063
(Myosin_head) 		5 VAL A 572
GLN A 576
PHE A 340
GLY A 336
ILE A 332
 None
 1.35A 4zvmA-1w8jA:
undetectable
4zvmB-1w8jA:
undetectable		 4zvmA-1w8jA:
15.87
4zvmB-1w8jA:
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 VAL A 136
PHE A 374
GLY A 161
GLY A 160
ASN A  96
 None
None
GDP  A1002 (-4.4A)
GDP  A1002 ( 4.7A)
None
 1.41A 4zvmA-1xjeA:
undetectable
4zvmB-1xjeA:
undetectable		 4zvmA-1xjeA:
16.06
4zvmB-1xjeA:
16.06
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.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 VAL A 137
PHE A 374
GLY A 161
GLY A 160
ASN A  96
 None
None
GDP  A1002 (-4.4A)
GDP  A1002 ( 4.7A)
None
 1.37A 4zvmA-1xjeA:
undetectable
4zvmB-1xjeA:
undetectable		 4zvmA-1xjeA:
16.06
4zvmB-1xjeA:
16.06
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.
1xqm KINDLING FLUORESCENT
PROTEIN

(Anemonia
sulcata) 		PF01353
(GFP) 		5 VAL A 205
PHE A  53
GLY A  49
GLY A  48
ILE A  46
 None
 1.02A 4zvmA-1xqmA:
undetectable
4zvmB-1xqmA:
undetectable		 4zvmA-1xqmA:
21.26
4zvmB-1xqmA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z81 CYCLOPHILIN

(Plasmodium
yoelii) 		PF00160
(Pro_isomerase) 		5 PHE A  59
PHE A  73
GLY A 106
GLY A 107
ILE A  94
 None
 1.03A 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.
2dfs MYOSIN-5A

(Gallus gallus) 		PF00063
(Myosin_head)
PF00612
(IQ) 		5 VAL A 572
GLN A 576
PHE A 340
GLY A 336
ILE A 332
 None
 1.40A 4zvmA-2dfsA:
undetectable
4zvmB-2dfsA:
undetectable		 4zvmA-2dfsA:
11.55
4zvmB-2dfsA:
11.55
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.
2eb5 2-OXO-HEPT-3-ENE-1,7
-DIOATE HYDRATASE

(Escherichia
coli) 		PF01557
(FAA_hydrolase) 		5 VAL A 112
PHE A  88
GLY A  81
ASN A 165
ILE A  62
 None
 1.44A 4zvmA-2eb5A:
undetectable
4zvmB-2eb5A:
undetectable		 4zvmA-2eb5A:
21.71
4zvmB-2eb5A:
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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 PHE A 348
PHE A 344
TRP A 323
MET A  74
ILE A 245
 None
 1.36A 4zvmA-2eijA:
undetectable
4zvmB-2eijA:
undetectable		 4zvmA-2eijA:
16.90
4zvmB-2eijA:
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.
2f00 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 151
PHE A 321
GLY A 129
ASN A 293
GLU A 174
 None
 1.32A 4zvmA-2f00A:
2.4
4zvmB-2f00A:
3.8		 4zvmA-2f00A:
19.24
4zvmB-2f00A:
19.24
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.
2fep CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF13377
(Peripla_BP_3) 		5 GLN A 152
PHE A 136
GLY A 126
GLY A 125
ILE A 192
 None
 1.35A 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.
2gd9 HYPOTHETICAL PROTEIN
YYAP

(Bacillus
subtilis) 		PF01872
(RibD_C) 		5 PHE A 101
GLY A 126
GLY A 125
GLU A  23
ILE A  22
 None
CL  A 189 (-3.9A)
EDO  A 191 ( 4.4A)
PO4  A 190 (-4.0A)
EDO  A 191 (-3.8A)
 1.34A 4zvmA-2gd9A:
undetectable
4zvmB-2gd9A:
undetectable		 4zvmA-2gd9A:
20.59
4zvmB-2gd9A:
20.59
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.
2hj0 PUTATIVE CITRATE
LYASE, ALFA SUBUNIT

(Streptococcus
mutans) 		PF04223
(CitF) 		5 VAL A 412
PHE A 331
GLY A 399
GLY A 398
ILE A 432
 None
CIT  A 601 (-4.4A)
None
CIT  A 601 (-3.6A)
None
 1.32A 4zvmA-2hj0A:
2.5
4zvmB-2hj0A:
3.8		 4zvmA-2hj0A:
17.50
4zvmB-2hj0A:
17.50
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.
2k0d COLICIN-E7 IMMUNITY
PROTEIN

(Escherichia
coli) 		PF01320
(Colicin_Pyocin) 		5 GLY X  69
GLY X  70
ASN X  64
GLU X  78
ILE X  75
 None
 1.23A 4zvmA-2k0dX:
undetectable
4zvmB-2k0dX:
undetectable		 4zvmA-2k0dX:
18.70
4zvmB-2k0dX:
18.70
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.
2nyz HYPOTHETICAL PROTEIN
GAMMAHV.M3

(Murid
gammaherpesvirus
4) 		PF09213
(M3) 		5 VAL A 110
PHE A 173
GLY A 199
GLY A  73
GLU A 197
 None
 1.48A 4zvmA-2nyzA:
undetectable
4zvmB-2nyzA:
undetectable		 4zvmA-2nyzA:
22.10
4zvmB-2nyzA:
22.10
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 VAL A 182
PHE A  34
GLY A 223
GLY A 224
ILE A 186
 None
None
PLP  A 406 ( 4.4A)
PLP  A 406 (-3.7A)
None
 1.26A 4zvmA-2qghA:
undetectable
4zvmB-2qghA:
undetectable		 4zvmA-2qghA:
20.45
4zvmB-2qghA:
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.
2qlt (DL)-GLYCEROL-3-PHOS
PHATASE 1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		5 VAL A 114
PHE A 147
PHE A 158
GLY A 138
ILE A  51
 None
None
None
SO4  A 280 (-4.4A)
None
 1.45A 4zvmA-2qltA:
2.2
4zvmB-2qltA:
2.4		 4zvmA-2qltA:
21.47
4zvmB-2qltA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vre DELTA(3,5)-DELTA(2,4
)-DIENOYL-COA
ISOMERASE

(Homo sapiens) 		PF00378
(ECH_1) 		5 PHE A 166
GLY A 147
GLY A 149
GLU A 171
ILE A  92
 None
 1.43A 4zvmA-2vreA:
undetectable
4zvmB-2vreA:
undetectable		 4zvmA-2vreA:
21.24
4zvmB-2vreA:
21.24
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.
2vtw FIBER PROTEIN 2

(Fowl
aviadenovirus A) 		PF16812
(AdHead_fibreRBD) 		5 VAL A 397
PHE A 277
PHE A 234
GLY A 224
ILE A 293
 None
 1.39A 4zvmA-2vtwA:
undetectable
4zvmB-2vtwA:
undetectable		 4zvmA-2vtwA:
20.54
4zvmB-2vtwA:
20.54
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 VAL A 466
PHE A 502
PHE A 450
TRP A 477
GLY A 381
 None
 1.40A 4zvmA-2yfnA:
undetectable
4zvmB-2yfnA:
undetectable		 4zvmA-2yfnA:
16.18
4zvmB-2yfnA:
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.
3ada SARCOSINE OXIDASE
BETA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01266
(DAO) 		5 VAL B  48
TRP B  12
GLY B  28
GLY B  29
MET B  61
 None
None
FAD  B   1 ( 4.8A)
FAD  B   1 (-3.0A)
FAD  B   1 (-3.8A)
 1.39A 4zvmA-3adaB:
undetectable
4zvmB-3adaB:
2.2		 4zvmA-3adaB:
20.90
4zvmB-3adaB:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be8 NEUROLIGIN-4,
X-LINKED

(Homo sapiens) 		PF00135
(COesterase) 		5 VAL A 170
PHE A 497
GLY A 256
GLY A 254
ILE A 278
 None
None
None
PO4  A 623 (-3.3A)
None
 1.44A 4zvmA-3be8A:
2.1
4zvmB-3be8A:
2.8		 4zvmA-3be8A:
18.01
4zvmB-3be8A:
18.01
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.
3cdk SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
A
SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE SUBUNIT
B

(Bacillus
subtilis) 		PF01144
(CoA_trans) 		5 GLN B  45
GLY B 128
GLY B 127
ASN A  54
ILE B  26
 None
 1.45A 4zvmA-3cdkB:
2.5
4zvmB-3cdkB:
2.6		 4zvmA-3cdkB:
24.80
4zvmB-3cdkB:
24.80
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.
3d4j DIPHOSPHOMEVALONATE
DECARBOXYLASE

(Homo sapiens) 		PF00288
(GHMP_kinases_N) 		5 VAL A 319
PHE A 249
PHE A 252
TRP A 192
ILE A 199
 None
 1.39A 4zvmA-3d4jA:
undetectable
4zvmB-3d4jA:
undetectable		 4zvmA-3d4jA:
18.78
4zvmB-3d4jA:
18.78
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.
3f0n MEVALONATE
PYROPHOSPHATE
DECARBOXYLASE

(Mus musculus) 		PF00288
(GHMP_kinases_N) 		5 VAL A 319
PHE A 249
PHE A 252
TRP A 192
ILE A 199
 None
 1.46A 4zvmA-3f0nA:
undetectable
4zvmB-3f0nA:
undetectable		 4zvmA-3f0nA:
21.03
4zvmB-3f0nA:
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.
3h4h COPPER-CONTAINING
NITRITE REDUCTASE

(Alcaligenes
faecalis) 		PF00394
(Cu-oxidase)
PF07732
(Cu-oxidase_3) 		5 VAL A 218
GLN A 181
GLY A 285
GLY A 286
ILE A 283
 None
 1.14A 4zvmA-3h4hA:
undetectable
4zvmB-3h4hA:
undetectable		 4zvmA-3h4hA:
21.17
4zvmB-3h4hA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3io5 RECOMBINATION AND
REPAIR PROTEIN

(Escherichia
virus T4) 		PF00154
(RecA) 		5 VAL A  31
PHE A 222
GLY A  45
GLU A  46
ILE A  47
 None
 1.28A 4zvmA-3io5A:
undetectable
4zvmB-3io5A:
undetectable		 4zvmA-3io5A:
19.22
4zvmB-3io5A:
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 VAL A 232
PHE A 462
GLY A 305
GLY A 307
GLU A  14
 None
None
SO4  A 497 ( 4.7A)
None
IMD  A 496 (-3.3A)
 1.31A 4zvmA-3iuuA:
5.4
4zvmB-3iuuA:
5.8		 4zvmA-3iuuA:
20.16
4zvmB-3iuuA:
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.
3ktc XYLOSE ISOMERASE

(Pectobacterium
atrosepticum) 		PF01261
(AP_endonuc_2) 		5 VAL A 198
PHE A 254
PHE A 255
GLY A 265
ILE A  77
 None
None
None
EDO  A 341 (-3.3A)
None
 1.36A 4zvmA-3ktcA:
undetectable
4zvmB-3ktcA:
undetectable		 4zvmA-3ktcA:
23.01
4zvmB-3ktcA:
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.
3l3b ES1 FAMILY PROTEIN

(Ehrlichia
chaffeensis) 		PF01965
(DJ-1_PfpI) 		5 VAL A 136
PHE A 119
GLY A  17
GLY A  11
ILE A  71
 None
 1.32A 4zvmA-3l3bA:
4.3
4zvmB-3l3bA:
6.3		 4zvmA-3l3bA:
20.72
4zvmB-3l3bA:
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		5 VAL A  71
PHE A 156
PHE A 288
GLY A 269
ASN A 293
 None
 1.29A 4zvmA-3ld8A:
undetectable
4zvmB-3ld8A:
undetectable		 4zvmA-3ld8A:
24.13
4zvmB-3ld8A:
24.13
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.
3ml0 PENICILLIN G
ACYLASE, BETA
SUBUNIT

(Alcaligenes
faecalis) 		PF01804
(Penicil_amidase) 		5 VAL B 391
PHE B 297
PHE B 343
TRP B 346
GLY B 371
 None
 1.38A 4zvmA-3ml0B:
undetectable
4zvmB-3ml0B:
undetectable		 4zvmA-3ml0B:
18.65
4zvmB-3ml0B:
18.65
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 VAL A 498
GLN A 418
GLY A 366
GLY A 365
ASN A 361
 None
 1.05A 4zvmA-3nqxA:
undetectable
4zvmB-3nqxA:
undetectable		 4zvmA-3nqxA:
21.52
4zvmB-3nqxA:
21.52
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.
3oc4 OXIDOREDUCTASE,
PYRIDINE
NUCLEOTIDE-DISULFIDE
FAMILY

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 VAL A 165
PHE A 204
PHE A 206
GLY A 157
GLY A 154
 None
 1.27A 4zvmA-3oc4A:
undetectable
4zvmB-3oc4A:
undetectable		 4zvmA-3oc4A:
19.04
4zvmB-3oc4A:
19.04
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.
3oqn CATABOLITE CONTROL
PROTEIN A

(Bacillus
subtilis) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 GLN A 152
PHE A 136
GLY A 126
GLY A 125
ILE A 192
 None
 1.34A 4zvmA-3oqnA:
3.8
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.
3pdw UNCHARACTERIZED
HYDROLASE YUTF

(Bacillus
subtilis) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 VAL A 172
GLN A 177
GLY A 164
GLY A 149
ILE A 151
 None
 1.15A 4zvmA-3pdwA:
undetectable
4zvmB-3pdwA:
undetectable		 4zvmA-3pdwA:
23.27
4zvmB-3pdwA:
23.27
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.
3pxj TYROSINE-PROTEIN
PHOSPHATASE LAR

(Drosophila
melanogaster) 		PF07679
(I-set) 		5 VAL A 210
PHE A 139
GLY A  51
GLY A  50
ILE A  97
 None
 1.41A 4zvmA-3pxjA:
undetectable
4zvmB-3pxjA:
undetectable		 4zvmA-3pxjA:
22.40
4zvmB-3pxjA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rha PUTRESCINE OXIDASE

(Paenarthrobacter
aurescens) 		PF01593
(Amino_oxidase) 		5 VAL A 121
PHE A 150
PHE A 183
GLY A 174
ILE A 207
 None
 1.17A 4zvmA-3rhaA:
undetectable
4zvmB-3rhaA:
2.1		 4zvmA-3rhaA:
18.65
4zvmB-3rhaA:
18.65
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.
3t8i PURINE NUCLEOSIDASE,
(IUNH-2)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		5 PHE A  48
PHE A 213
TRP A  87
GLY A  83
ASN A 218
 None
 1.45A 4zvmA-3t8iA:
3.7
4zvmB-3t8iA:
4.0		 4zvmA-3t8iA:
22.01
4zvmB-3t8iA:
22.01
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) 		7 TRP A 105
GLY A 149
GLY A 150
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
FAD  A 232 ( 3.1A)
None
 0.43A 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.
3v2y SPHINGOSINE
1-PHOSPHATE RECEPTOR
1, LYSOZYME CHIMERA
(E.C.3.2.1.17)

(Escherichia
virus T4;
Homo sapiens) 		PF00001
(7tm_1)
PF00959
(Phage_lysozyme) 		5 VAL A 209
GLY A 175
GLY A 176
MET A 180
ILE A 173
 None
 1.48A 4zvmA-3v2yA:
undetectable
4zvmB-3v2yA:
undetectable		 4zvmA-3v2yA:
17.27
4zvmB-3v2yA:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v4p INTEGRIN ALPHA-4

(Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		5 GLN A 230
GLY A 225
ASN A 341
GLU A 234
ILE A 250
 None
 1.37A 4zvmA-3v4pA:
undetectable
4zvmB-3v4pA:
undetectable		 4zvmA-3v4pA:
17.23
4zvmB-3v4pA:
17.23
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1617
GLY A1621
GLY A1622
ASN A1318
ILE A1557
 None
 1.27A 4zvmA-3va7A:
undetectable
4zvmB-3va7A:
undetectable		 4zvmA-3va7A:
11.06
4zvmB-3va7A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vab DIAMINOPIMELATE
DECARBOXYLASE 1

(Brucella
melitensis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 PHE A  49
PHE A  45
GLY A 238
GLY A 239
ILE A 201
 None
None
LLP  A  61 ( 4.8A)
LLP  A  61 ( 3.6A)
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.
3vgj TYROSYL-TRNA
SYNTHETASE, PUTATIVE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		5 GLN A 205
PHE A  91
PHE A  93
GLY A  74
ILE A 292
 None
 1.41A 4zvmA-3vgjA:
undetectable
4zvmB-3vgjA:
undetectable		 4zvmA-3vgjA:
17.90
4zvmB-3vgjA:
17.90
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.
3vla EDGP

(Daucus carota) 		PF14541
(TAXi_C)
PF14543
(TAXi_N) 		5 PHE A 386
PHE A 178
GLY A  42
GLY A  43
ILE A 273
 None
 1.43A 4zvmA-3vlaA:
undetectable
4zvmB-3vlaA:
undetectable		 4zvmA-3vlaA:
17.83
4zvmB-3vlaA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpz GLUCOKINASE

(Pseudoalteromonas
sp. AS-131) 		PF02685
(Glucokinase) 		5 VAL A 109
PHE A  23
PHE A  44
GLY A  17
GLY A  18
 None
 1.45A 4zvmA-3vpzA:
undetectable
4zvmB-3vpzA:
undetectable		 4zvmA-3vpzA:
22.83
4zvmB-3vpzA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vz0 PUTATIVE
NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF00171
(Aldedh) 		5 PHE A 291
GLY A 261
GLY A 364
MET A 306
ILE A 362
 None
 1.49A 4zvmA-3vz0A:
3.2
4zvmB-3vz0A:
3.2		 4zvmA-3vz0A:
21.20
4zvmB-3vz0A:
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.
3wv7 HMD CO-OCCURRING
PROTEIN HCGE

(Methanothermobacter
marburgensis) 		PF00899
(ThiF) 		5 VAL A 175
GLY A  25
GLY A  22
GLU A 108
ILE A 109
 None
None
ADP  A 301 (-3.2A)
None
ADP  A 301 (-3.8A)
 1.46A 4zvmA-3wv7A:
5.2
4zvmB-3wv7A:
5.6		 4zvmA-3wv7A:
21.18
4zvmB-3wv7A:
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 GLN A 142
PHE A 143
PHE A 226
GLY A 124
GLY A 123
 None
 1.33A 4zvmA-3x43A:
undetectable
4zvmB-3x43A:
undetectable		 4zvmA-3x43A:
21.16
4zvmB-3x43A:
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.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 5 VAL A 178
GLN A 175
GLY A  16
GLY A  13
ASN A  39
 GDP  A 999 (-4.2A)
GDP  A 999 (-3.7A)
None
GDP  A 999 (-3.6A)
None
 1.37A 4zvmA-3zbqA:
5.1
4zvmB-3zbqA:
5.4		 4zvmA-3zbqA:
17.46
4zvmB-3zbqA:
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.
3zuk ENDOPEPTIDASE,
PEPTIDASE FAMILY M13

(Mycobacterium
tuberculosis) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		5 GLN A 502
PHE A 524
TRP A 516
GLY A 498
GLY A 496
 None
ACT  A1690 ( 4.9A)
ACT  A1690 (-3.7A)
None
None
 1.45A 4zvmA-3zukA:
undetectable
4zvmB-3zukA:
2.5		 4zvmA-3zukA:
15.44
4zvmB-3zukA:
15.44
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.
4aaj N-(5'-PHOSPHORIBOSYL
)ANTHRANILATE
ISOMERASE

(Pyrococcus
furiosus) 		PF00697
(PRAI) 		5 VAL A 156
PHE A 199
GLY A 160
GLY A 161
ASN A 163
 None
None
SO4  A1207 ( 3.8A)
SO4  A1207 (-3.5A)
None
 1.41A 4zvmA-4aajA:
undetectable
4zvmB-4aajA:
undetectable		 4zvmA-4aajA:
20.85
4zvmB-4aajA:
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.
4fbl LIPS LIPOLYTIC
ENZYME

(unidentified) 		PF12146
(Hydrolase_4) 		5 VAL A 107
PHE A 143
GLY A 128
GLY A 129
ILE A 204
 None
 1.33A 4zvmA-4fblA:
4.8
4zvmB-4fblA:
4.1		 4zvmA-4fblA:
21.99
4zvmB-4fblA:
21.99
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.
4hv4 UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Yersinia pestis) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 VAL A 151
PHE A 321
GLY A 129
ASN A 293
GLU A 174
 None
None
AMP  A 501 (-3.2A)
None
None
 1.29A 4zvmA-4hv4A:
3.3
4zvmB-4hv4A:
3.7		 4zvmA-4hv4A:
19.18
4zvmB-4hv4A:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ivi CARBOXYLESTERASE

(uncultured
bacterium) 		PF00144
(Beta-lactamase) 		5 PHE A 283
GLY A 295
GLY A 294
ASN A 196
ILE A 105
 None
 1.27A 4zvmA-4iviA:
undetectable
4zvmB-4iviA:
undetectable		 4zvmA-4iviA:
22.14
4zvmB-4iviA:
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 PHE A  74
PHE A  73
GLY A  12
GLY A  13
ILE A  21
 None
 1.28A 4zvmA-4jroA:
6.2
4zvmB-4jroA:
6.6		 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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 VAL A  69
TRP A  83
GLY A 107
ASN A  80
ILE A  53
 None
 1.46A 4zvmA-4lgnA:
undetectable
4zvmB-4lgnA:
undetectable		 4zvmA-4lgnA:
15.11
4zvmB-4lgnA:
15.11
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.
4oig NON-STRUCTURAL
PROTEIN 1, NS1

(Dengue virus) 		PF00948
(Flavi_NS1) 		5 GLY A 248
GLY A 249
MET A 241
ASN A 255
ILE A 246
 None
 1.49A 4zvmA-4oigA:
undetectable
4zvmB-4oigA:
undetectable		 4zvmA-4oigA:
22.58
4zvmB-4oigA:
22.58
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.
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
 1.05A 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.
4po2 HEAT SHOCK 70 KDA
PROTEIN 1A/1B

(Homo sapiens) 		PF00012
(HSP70) 		5 VAL A 442
PHE A 428
GLY A 408
GLY A 407
ASN A 540
 None
 1.22A 4zvmA-4po2A:
undetectable
4zvmB-4po2A:
undetectable		 4zvmA-4po2A:
20.31
4zvmB-4po2A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r9x COPPER HOMEOSTASIS
PROTEIN CUTC

(Bacillus
anthracis) 		PF03932
(CutC) 		5 PHE A  63
GLY A  32
GLY A  33
MET A  55
ILE A   5
 PGE  A 301 (-4.3A)
PGE  A 301 (-3.6A)
None
PGE  A 301 ( 4.4A)
None
 1.23A 4zvmA-4r9xA:
undetectable
4zvmB-4r9xA:
undetectable		 4zvmA-4r9xA:
21.20
4zvmB-4r9xA:
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.
4rep GAMMA-CAROTENE
DESATURASE

(Nonlabens
dokdonensis) 		PF01593
(Amino_oxidase) 		5 GLN A 228
GLY A  10
GLY A  13
GLU A  31
ILE A  29
 None
FAD  A 501 (-3.4A)
None
FAD  A 501 (-2.7A)
None
 1.28A 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.
4ru4 TAIL SPIKE PROTEIN
GP49

(Pseudomonas
virus LKA1) 		PF13229
(Beta_helix) 		5 VAL A 395
GLY A 448
GLY A 449
MET A 480
ILE A 423
 None
 1.20A 4zvmA-4ru4A:
undetectable
4zvmB-4ru4A:
undetectable		 4zvmA-4ru4A:
16.33
4zvmB-4ru4A:
16.33
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.
4u7t DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 3A

(Homo sapiens) 		PF00145
(DNA_methylase) 		5 PHE A 521
PHE A 608
GLY A 511
GLY A 512
ILE A 493
 None
 1.22A 4zvmA-4u7tA:
3.6
4zvmB-4u7tA:
3.8		 4zvmA-4u7tA:
18.87
4zvmB-4u7tA:
18.87
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.
4yam BETA-ETHERASE

(Sphingobium sp.
SYK-6) 		PF13417
(GST_N_3) 		5 VAL A  24
PHE A 186
PHE A  90
TRP A  73
ILE A   7
 None
 1.47A 4zvmA-4yamA:
undetectable
4zvmB-4yamA:
undetectable		 4zvmA-4yamA:
21.55
4zvmB-4yamA:
21.55
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.
4yfg RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		no annotation 5 VAL B 209
PHE B 132
GLY B  46
GLY B  45
ILE B  91
 None
 1.36A 4zvmA-4yfgB:
undetectable
4zvmB-4yfgB:
undetectable		 4zvmA-4yfgB:
18.87
4zvmB-4yfgB:
18.87
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		5 PHE B 371
TRP B 523
GLY B 530
GLU B 534
ILE B 535
 None
 1.27A 4zvmA-4yg8B:
undetectable
4zvmB-4yg8B:
undetectable		 4zvmA-4yg8B:
14.01
4zvmB-4yg8B:
14.01
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.
4yg8 CHITIN BIOSYNTHESIS
PROTEIN CHS6

(Saccharomyces
cerevisiae) 		PF09295
(ChAPs) 		5 PHE B 371
TRP B 523
GLY B 530
GLU B 534
ILE B 535
 None
 1.44A 4zvmA-4yg8B:
undetectable
4zvmB-4yg8B:
undetectable		 4zvmA-4yg8B:
14.01
4zvmB-4yg8B:
14.01
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.
4ygu PUTATIVE ADHESIN

(Bacteroides
eggerthii) 		PF10988
(DUF2807) 		5 VAL A  68
PHE A  84
GLY A  47
GLY A 117
ILE A  49
 None
 1.36A 4zvmA-4yguA:
undetectable
4zvmB-4yguA:
undetectable		 4zvmA-4yguA:
22.92
4zvmB-4yguA:
22.92
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		5 VAL A 246
PHE A 319
PHE A 341
GLY A  48
ILE A 276
 None
None
FAD  A 601 (-4.4A)
FAD  A 601 (-3.4A)
None
 1.42A 4zvmA-4z43A:
undetectable
4zvmB-4z43A:
2.1		 4zvmA-4z43A:
18.22
4zvmB-4z43A:
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.
4z5q CYTOCHROME P450
HYDROXYLASE

(Streptomyces
atroolivaceus) 		PF00067
(p450) 		5 VAL A 360
PHE A 345
GLY A 241
GLY A 240
ILE A 237
 None
HEM  A 401 (-4.6A)
HEM  A 401 (-3.2A)
P33  A 407 ( 3.4A)
HEM  A 401 (-4.5A)
 0.90A 4zvmA-4z5qA:
undetectable
4zvmB-4z5qA:
undetectable		 4zvmA-4z5qA:
21.03
4zvmB-4z5qA:
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 GLY A 449
GLY A 525
MET A 498
GLU A 450
ILE A 454
 None
 1.30A 4zvmA-5dgqA:
undetectable
4zvmB-5dgqA:
undetectable		 4zvmA-5dgqA:
17.21
4zvmB-5dgqA:
17.21
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.
5e5o I-SMAMI LAGLIDADG
ENDONUCLEASE

(Sordaria
macrospora) 		PF00961
(LAGLIDADG_1) 		5 PHE A  62
PHE A  61
GLY A  15
ASN A   9
ILE A 100
 None
 1.36A 4zvmA-5e5oA:
undetectable
4zvmB-5e5oA:
undetectable		 4zvmA-5e5oA:
21.38
4zvmB-5e5oA:
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.
5esp I-PANMI

(Podospora
anserina) 		PF00961
(LAGLIDADG_1) 		5 PHE A  62
PHE A  61
GLY A  15
ASN A   9
ILE A  98
 None
 1.24A 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.
5fl7 ATP SYNTHASE SUBUNIT
ALPHA

(Yarrowia
lipolytica) 		PF00006
(ATP-synt_ab)
PF00306
(ATP-synt_ab_C)
PF02874
(ATP-synt_ab_N) 		5 VAL A 468
PHE A 494
PHE A 530
GLY A 474
GLY A 477
 None
 1.34A 4zvmA-5fl7A:
undetectable
4zvmB-5fl7A:
undetectable		 4zvmA-5fl7A:
18.05
4zvmB-5fl7A:
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.
5fsa CYP51 VARIANT1

(Candida
albicans) 		PF00067
(p450) 		5 VAL A 478
PHE A 463
GLY A 308
GLY A 307
ILE A 304
 None
HEM  A 580 ( 4.5A)
HEM  A 580 (-3.6A)
X2N  A 590 (-3.5A)
HEM  A 580 ( 4.6A)
 1.19A 4zvmA-5fsaA:
undetectable
4zvmB-5fsaA:
undetectable		 4zvmA-5fsaA:
19.31
4zvmB-5fsaA:
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.
5ha4 DIAMINOPIMELATE
EPIMERASE

(Acinetobacter
baumannii) 		PF01678
(DAP_epimerase) 		5 VAL A  79
GLY A 221
GLY A 223
ASN A 193
ILE A 252
 None
 1.33A 4zvmA-5ha4A:
undetectable
4zvmB-5ha4A:
undetectable		 4zvmA-5ha4A:
21.55
4zvmB-5ha4A:
21.55
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 VAL A1617
GLY A1621
GLY A1622
ASN A1318
ILE A1557
 None
 1.28A 4zvmA-5i8iA:
undetectable
4zvmB-5i8iA:
3.6		 4zvmA-5i8iA:
11.80
4zvmB-5i8iA:
11.80
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.
5lxd DUAL SPECIFICITY
TYROSINE-PHOSPHORYLA
TION-REGULATED
KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		5 VAL A 306
GLY A 297
ASN A 280
GLU A 192
ILE A 196
 None
None
7A7  A 501 ( 4.8A)
None
None
 1.47A 4zvmA-5lxdA:
undetectable
4zvmB-5lxdA:
undetectable		 4zvmA-5lxdA:
18.47
4zvmB-5lxdA:
18.47
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.
5ly3 ACTIN/ACTIN FAMILY
PROTEIN

(Pyrobaculum
calidifontis) 		PF00022
(Actin) 		5 VAL A 234
GLY A 208
GLY A 207
ASN A 186
ILE A 290
 None
ADP  A 501 (-3.4A)
None
None
None
 1.26A 4zvmA-5ly3A:
undetectable
4zvmB-5ly3A:
undetectable		 4zvmA-5ly3A:
18.86
4zvmB-5ly3A:
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.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 460
TRP A 657
GLY A 550
ASN A 508
ILE A 569
 None
GIF  A 901 ( 4.4A)
None
None
None
 1.33A 4zvmA-5t9gA:
undetectable
4zvmB-5t9gA:
undetectable		 4zvmA-5t9gA:
13.92
4zvmB-5t9gA:
13.92
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.
5vj1 MDCA

(Pseudomonas
aeruginosa) 		PF16957
(Mal_decarbox_Al) 		5 VAL A 417
PHE A 226
GLY A 381
GLY A 380
ASN A  59
 None
None
None
None
CL  A 601 (-4.4A)
 1.40A 4zvmA-5vj1A:
undetectable
4zvmB-5vj1A:
2.1		 4zvmA-5vj1A:
20.27
4zvmB-5vj1A:
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 5 VAL A 244
PHE A 207
GLY A 214
GLY A 215
ILE A  68
 None
 1.32A 4zvmA-5wt4A:
undetectable
4zvmB-5wt4A:
2.4		 4zvmA-5wt4A:
16.74
4zvmB-5wt4A:
16.74
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.
5xmc E3 UBIQUITIN-PROTEIN
LIGASE ITCHY

(Mus musculus) 		PF00397
(WW)
PF00632
(HECT) 		5 PHE A 523
GLY A 721
GLY A 603
GLU A 724
ILE A 725
 None
 1.14A 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.
5xw5 TYROSINE-PROTEIN
PHOSPHATASE CDC14

(Saccharomyces
cerevisiae) 		PF00782
(DSPc)
PF14671
(DSPn) 		5 VAL A 227
GLN A 245
GLY A 277
GLY A 276
ILE A 273
 None
 1.24A 4zvmA-5xw5A:
undetectable
4zvmB-5xw5A:
undetectable		 4zvmA-5xw5A:
19.66
4zvmB-5xw5A:
19.66
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.
6bwc POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
CAPD

(Bacillus
thuringiensis) 		no annotation 5 VAL A  25
PHE A  50
GLY A  13
GLY A  15
ILE A  17
 None
None
NAP  A 401 ( 4.5A)
NAP  A 401 (-3.5A)
NAP  A 401 (-3.8A)
 1.40A 4zvmA-6bwcA:
5.7
4zvmB-6bwcA:
6.3		 4zvmA-6bwcA:
18.18
4zvmB-6bwcA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6cau UDP-N-ACETYLMURAMATE
--L-ALANINE LIGASE

(Acinetobacter
baumannii) 		no annotation 5 VAL A 154
PHE A 324
GLY A 132
ASN A 296
GLU A 177
 None
None
ANP  A 501 (-3.1A)
None
MG  A 502 ( 2.7A)
 1.47A 4zvmA-6cauA:
2.5
4zvmB-6cauA:
2.1		 4zvmA-6cauA:
15.11
4zvmB-6cauA:
15.11
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.
6cm4 D(2) DOPAMINE
RECEPTOR, ENDOLYSIN
CHIMERA

(Escherichia
virus T4;
Homo sapiens) 		no annotation 5 VAL A 196
PHE A 390
PHE A 389
TRP A 386
ILE A 183
 None
8NU  A2001 ( 4.8A)
8NU  A2001 ( 4.5A)
8NU  A2001 ( 3.8A)
None
 1.29A 4zvmA-6cm4A:
undetectable
4zvmB-6cm4A:
undetectable		 4zvmA-6cm4A:
20.00
4zvmB-6cm4A:
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 5 VAL A 183
GLY A  73
GLY A  72
ASN A  58
ILE A  70
 None
None
None
None
NAG  A1228 ( 4.3A)
 1.46A 4zvmA-6cv0A:
undetectable
4zvmB-6cv0A:
undetectable		 4zvmA-6cv0A:
14.67
4zvmB-6cv0A:
14.67