SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_A_PCFA1805

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.
1adq IGM-LAMBDA RF-AN FAB
(HEAVY CHAIN)

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE H 100
ILE H  51
SER H  97
THR H  95
 None
 1.00A 5vkqA-1adqH:
undetectable
5vkqD-1adqH:
undetectable		 5vkqA-1adqH:
9.05
5vkqD-1adqH:
9.05
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.
1bkd SON OF SEVENLESS-1

(Homo sapiens) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 HIS S 780
PRO S 781
ILE S 782
SER S 853
 None
 0.86A 5vkqA-1bkdS:
0.0
5vkqD-1bkdS:
0.0		 5vkqA-1bkdS:
14.28
5vkqD-1bkdS:
14.28
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.
1dqw OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00215
(OMPdecase) 		4 VAL A 169
ILE A 183
SER A 160
THR A 165
 None
 0.83A 5vkqA-1dqwA:
0.0
5vkqD-1dqwA:
0.0		 5vkqA-1dqwA:
10.06
5vkqD-1dqwA:
10.06
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		4 PHE A 270
ILE A 295
SER A 265
THR A 263
 None
 0.96A 5vkqA-1jofA:
undetectable
5vkqD-1jofA:
undetectable		 5vkqA-1jofA:
11.64
5vkqD-1jofA:
11.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		4 PHE A 231
HIS A 251
ILE A 335
THR A 197
 None
 1.07A 5vkqA-1pe9A:
0.0
5vkqD-1pe9A:
0.0		 5vkqA-1pe9A:
12.73
5vkqD-1pe9A:
12.73
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.
1q5a EP-CADHERIN

(Mus musculus) 		PF00028
(Cadherin) 		4 VAL A 525
PRO A 440
ILE A 459
THR A 523
 None
 0.00A 5vkqA-1q5aA:
undetectable
5vkqD-1q5aA:
undetectable		 5vkqA-1q5aA:
19.67
5vkqD-1q5aA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 HIS A  78
ILE A  79
SER A 280
THR A 277
 None
 1.07A 5vkqA-1qorA:
0.0
5vkqD-1qorA:
0.0		 5vkqA-1qorA:
11.73
5vkqD-1qorA:
11.73
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.
1tjr BX1

(Zea mays) 		PF00290
(Trp_syntA) 		4 VAL A 166
ILE A 108
SER A 159
THR A 161
 None
 0.93A 5vkqA-1tjrA:
0.0
5vkqD-1tjrA:
0.0		 5vkqA-1tjrA:
10.02
5vkqD-1tjrA:
10.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uz4 MAN5A

(Cellvibrio
mixtus) 		PF00150
(Cellulase) 		4 VAL A 153
PRO A 156
SER A 169
THR A 142
 None
 1.02A 5vkqA-1uz4A:
0.0
5vkqD-1uz4A:
0.0		 5vkqA-1uz4A:
13.22
5vkqD-1uz4A:
13.22
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.
1v10 LACCASE

(Rigidoporus
microporus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 VAL A 407
ILE A 310
SER A 413
THR A 410
 None
 0.98A 5vkqA-1v10A:
0.0
5vkqD-1v10A:
undetectable		 5vkqA-1v10A:
14.62
5vkqD-1v10A:
14.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w18 LEVANSUCRASE

(Gluconacetobacter
diazotrophicus) 		PF02435
(Glyco_hydro_68) 		4 VAL A 513
HIS A 486
ILE A 417
SER A 522
 None
 0.99A 5vkqA-1w18A:
undetectable
5vkqD-1w18A:
undetectable		 5vkqA-1w18A:
14.71
5vkqD-1w18A:
14.71
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		4 PHE A 213
HIS A 208
ILE A 174
SER A 155
 None
 1.06A 5vkqA-1woqA:
0.0
5vkqD-1woqA:
0.0		 5vkqA-1woqA:
10.16
5vkqD-1woqA:
10.16
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.
1xdv SON OF SEVENLESS
PROTEIN HOMOLOG 1

(Homo sapiens) 		PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		4 HIS A 780
PRO A 781
ILE A 782
SER A 853
 None
 0.86A 5vkqA-1xdvA:
0.0
5vkqD-1xdvA:
0.0		 5vkqA-1xdvA:
18.19
5vkqD-1xdvA:
18.19
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.
1yby TRANSLATION
ELONGATION FACTOR P

(Ruminiclostridium
thermocellum) 		PF01132
(EFP)
PF08207
(EFP_N)
PF09285
(Elong-fact-P_C) 		5 PHE A 104
VAL A 129
PRO A 125
ILE A 123
THR A 176
 None
 1.30A 5vkqA-1ybyA:
undetectable
5vkqD-1ybyA:
undetectable		 5vkqA-1ybyA:
8.44
5vkqD-1ybyA:
8.44
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.
2b4v RNA EDITING COMPLEX
PROTEIN MP57

(Trypanosoma
brucei) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		4 PHE A 325
VAL A 299
ILE A 375
THR A 295
 None
 1.00A 5vkqA-2b4vA:
undetectable
5vkqD-2b4vA:
undetectable		 5vkqA-2b4vA:
14.67
5vkqD-2b4vA:
14.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 HIS A 314
PRO A 315
ILE A 316
THR A 285
 None
 0.76A 5vkqA-2bfeA:
undetectable
5vkqD-2bfeA:
undetectable		 5vkqA-2bfeA:
13.26
5vkqD-2bfeA:
13.26
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.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 VAL A 312
HIS A 297
ILE A 296
SER A 147
 None
 0.84A 5vkqA-2dc0A:
undetectable
5vkqD-2dc0A:
undetectable		 5vkqA-2dc0A:
13.95
5vkqD-2dc0A:
13.95
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.
2g8y MALATE/L-LACTATE
DEHYDROGENASES

(Escherichia
coli) 		PF02615
(Ldh_2) 		4 VAL A 144
HIS A 120
SER A 184
THR A 162
 NAD  A1001 (-4.4A)
EDO  A1019 ( 4.1A)
None
SO4  A1003 (-3.3A)
 0.92A 5vkqA-2g8yA:
undetectable
5vkqD-2g8yA:
undetectable		 5vkqA-2g8yA:
12.59
5vkqD-2g8yA:
12.59
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.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		4 VAL A 265
PRO A 332
ILE A 331
SER A  98
 None
 0.96A 5vkqA-2ghbA:
undetectable
5vkqD-2ghbA:
undetectable		 5vkqA-2ghbA:
12.59
5vkqD-2ghbA:
12.59
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		4 VAL A  90
PRO A 175
ILE A 176
THR A 217
 None
 1.06A 5vkqA-2ijzA:
undetectable
5vkqD-2ijzA:
undetectable		 5vkqA-2ijzA:
14.17
5vkqD-2ijzA:
14.17
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.
2lly NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02932
(Neur_chan_memb) 		4 VAL A  91
ILE A 112
SER A  84
THR A  88
 None
 0.97A 5vkqA-2llyA:
undetectable
5vkqD-2llyA:
undetectable		 5vkqA-2llyA:
6.38
5vkqD-2llyA:
6.38
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.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		4 PHE A 446
VAL A 352
ILE A 452
THR A 348
 None
 0.78A 5vkqA-2nnjA:
undetectable
5vkqD-2nnjA:
undetectable		 5vkqA-2nnjA:
14.39
5vkqD-2nnjA:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvu NEDD8-CONJUGATING
ENZYME UBC12

(Homo sapiens) 		PF00179
(UQ_con) 		4 PHE C  70
VAL C 164
HIS C 101
PRO C 102
 None
 0.78A 5vkqA-2nvuC:
undetectable
5vkqD-2nvuC:
undetectable		 5vkqA-2nvuC:
7.56
5vkqD-2nvuC:
7.56
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.
2nwi HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01947
(DUF98) 		4 PRO A  95
ILE A  94
SER A  14
THR A  16
 None
 0.99A 5vkqA-2nwiA:
undetectable
5vkqD-2nwiA:
undetectable		 5vkqA-2nwiA:
6.81
5vkqD-2nwiA:
6.81
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		4 VAL A 279
HIS A 287
PRO A 288
ILE A 289
 VAL  A 279 ( 0.6A)
HIS  A 287 ( 1.0A)
PRO  A 288 ( 1.1A)
ILE  A 289 ( 0.7A)
 1.01A 5vkqA-2ogsA:
undetectable
5vkqD-2ogsA:
undetectable		 5vkqA-2ogsA:
14.51
5vkqD-2ogsA:
14.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsj P-COUMARIC ACID
DECARBOXYLASE

(Lactobacillus
plantarum) 		PF05870
(PA_decarbox) 		4 PHE A  94
ILE A 104
SER A  71
THR A  75
 None
None
NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
 0.97A 5vkqA-2wsjA:
undetectable
5vkqD-2wsjA:
undetectable		 5vkqA-2wsjA:
6.99
5vkqD-2wsjA:
6.99
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.
2wy3 UNCHARACTERIZED
PROTEIN UL16

(Human
betaherpesvirus
5) 		PF17622
(UL16) 		4 PHE B 102
ILE B  75
SER B  62
THR B 126
 None
 1.03A 5vkqA-2wy3B:
undetectable
5vkqD-2wy3B:
undetectable		 5vkqA-2wy3B:
6.64
5vkqD-2wy3B:
6.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		4 VAL A 351
HIS A 353
PRO A 354
THR A 302
 None
 0.97A 5vkqA-2yocA:
undetectable
5vkqD-2yocA:
undetectable		 5vkqA-2yocA:
21.31
5vkqD-2yocA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus;
Thermosynechococcus
vulcanus) 		PF00421
(PSII)
PF00124
(Photo_RC) 		4 PHE D 341
VAL D 345
PRO D 347
SER B 365
 None
 1.01A 5vkqA-3a0hD:
2.8
5vkqD-3a0hD:
2.8		 5vkqA-3a0hD:
11.22
5vkqD-3a0hD:
11.22
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 377
ILE A  39
SER A 349
THR A 353
 None
 1.01A 5vkqA-3acpA:
undetectable
5vkqD-3acpA:
undetectable		 5vkqA-3acpA:
13.18
5vkqD-3acpA:
13.18
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.
3b46 AMINOTRANSFERASE
BNA3

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 PHE A 148
HIS A 208
PRO A 210
ILE A 211
 None
 1.01A 5vkqA-3b46A:
undetectable
5vkqD-3b46A:
undetectable		 5vkqA-3b46A:
14.39
5vkqD-3b46A:
14.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddd PUTATIVE
ACETYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF00583
(Acetyltransf_1) 		4 PHE A  62
VAL A 167
ILE A 263
SER A  34
 None
 0.77A 5vkqA-3dddA:
undetectable
5vkqD-3dddA:
undetectable		 5vkqA-3dddA:
9.92
5vkqD-3dddA:
9.92
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.
3dh3 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F

(Escherichia
coli) 		PF00849
(PseudoU_synth_2)
PF01479
(S4) 		4 VAL A  91
PRO A 102
ILE A 103
THR A  82
 None
None
None
C  E2591 ( 3.1A)
 0.96A 5vkqA-3dh3A:
undetectable
5vkqD-3dh3A:
undetectable		 5vkqA-3dh3A:
11.07
5vkqD-3dh3A:
11.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A 494
HIS A 780
PRO A 781
ILE A 782
 None
 1.02A 5vkqA-3dy5A:
2.3
5vkqD-3dy5A:
2.3		 5vkqA-3dy5A:
20.89
5vkqD-3dy5A:
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.
3e0l GUANINE DEAMINASE

(Homo sapiens) 		PF01979
(Amidohydro_1) 		4 VAL A 195
ILE A 235
SER A 187
THR A 191
 None
 1.07A 5vkqA-3e0lA:
undetectable
5vkqD-3e0lA:
undetectable		 5vkqA-3e0lA:
14.41
5vkqD-3e0lA:
14.41
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.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A 347
ILE A 334
SER A 339
THR A 343
 None
 0.96A 5vkqA-3e1hA:
undetectable
5vkqD-3e1hA:
undetectable		 5vkqA-3e1hA:
14.09
5vkqD-3e1hA:
14.09
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.
3ejb BIOTIN BIOSYNTHESIS
CYTOCHROME P450-LIKE
ENZYME

(Bacillus
subtilis) 		PF00067
(p450) 		4 HIS B  26
PRO B  27
ILE B  28
SER B 317
 None
 0.54A 5vkqA-3ejbB:
undetectable
5vkqD-3ejbB:
undetectable		 5vkqA-3ejbB:
13.92
5vkqD-3ejbB:
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.
3eqz RESPONSE REGULATOR

(Colwellia
psychrerythraea) 		PF00072
(Response_reg) 		4 PHE A  38
VAL A  63
ILE A  77
SER A  72
 PHE  A  38 ( 1.3A)
VAL  A  63 ( 0.6A)
ILE  A  77 ( 0.7A)
SER  A  72 ( 0.0A)
 1.02A 5vkqA-3eqzA:
undetectable
5vkqD-3eqzA:
undetectable		 5vkqA-3eqzA:
5.66
5vkqD-3eqzA:
5.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 VAL A 347
ILE A 334
SER A 339
THR A 343
 None
 0.95A 5vkqA-3euoA:
undetectable
5vkqD-3euoA:
undetectable		 5vkqA-3euoA:
12.20
5vkqD-3euoA:
12.20
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.
3fg4 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 PHE A 494
HIS A 780
PRO A 781
ILE A 782
 None
 0.91A 5vkqA-3fg4A:
undetectable
5vkqD-3fg4A:
3.1		 5vkqA-3fg4A:
17.51
5vkqD-3fg4A:
17.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 HIS A  77
ILE A 307
SER A 314
THR A 311
 None
 1.05A 5vkqA-3fvcA:
undetectable
5vkqD-3fvcA:
undetectable		 5vkqA-3fvcA:
17.06
5vkqD-3fvcA:
17.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g7p NITROGEN FIXATION
PROTEIN

(Acidithiobacillus
ferrooxidans) 		PF03270
(DUF269) 		4 VAL A  77
ILE A 106
SER A  85
THR A  81
 None
 0.77A 5vkqA-3g7pA:
undetectable
5vkqD-3g7pA:
undetectable		 5vkqA-3g7pA:
6.49
5vkqD-3g7pA:
6.49
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 820
HIS A 792
PRO A 791
ILE B 687
 None
 0.90A 5vkqA-3h0gA:
3.1
5vkqD-3h0gA:
3.1		 5vkqA-3h0gA:
22.63
5vkqD-3h0gA:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 PHE A 426
VAL A 457
ILE A 367
THR A 491
 None
 0.98A 5vkqA-3kehA:
undetectable
5vkqD-3kehA:
undetectable		 5vkqA-3kehA:
14.60
5vkqD-3kehA:
14.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kkl PROBABLE CHAPERONE
PROTEIN HSP33

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A 165
PRO A 201
ILE A 202
SER A 223
 None
 1.06A 5vkqA-3kklA:
undetectable
5vkqD-3kklA:
undetectable		 5vkqA-3kklA:
8.37
5vkqD-3kklA:
8.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kl0 GLUCURONOXYLANASE
XYNC

(Bacillus
subtilis) 		PF17189
(Glyco_hydro_30C) 		4 PHE A 296
VAL A 326
ILE A 253
THR A 386
 None
 1.05A 5vkqA-3kl0A:
undetectable
5vkqD-3kl0A:
undetectable		 5vkqA-3kl0A:
12.64
5vkqD-3kl0A:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksy SON OF SEVENLESS
HOMOLOG 1

(Homo sapiens) 		PF00125
(Histone)
PF00169
(PH)
PF00617
(RasGEF)
PF00618
(RasGEF_N)
PF00621
(RhoGEF) 		4 HIS A 780
PRO A 781
ILE A 782
SER A 853
 None
 0.80A 5vkqA-3ksyA:
2.9
5vkqD-3ksyA:
2.9		 5vkqA-3ksyA:
19.39
5vkqD-3ksyA:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 VAL A  67
HIS A 131
ILE A 259
THR A  69
 FMT  A3613 (-4.6A)
None
None
DMS  A3092 (-3.8A)
 1.06A 5vkqA-3lcrA:
undetectable
5vkqD-3lcrA:
undetectable		 5vkqA-3lcrA:
11.03
5vkqD-3lcrA:
11.03
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.
3lmm UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF04326
(AlbA_2)
PF13749
(HATPase_c_4) 		4 VAL A 401
HIS A 311
ILE A 310
THR A 403
 None
 0.83A 5vkqA-3lmmA:
undetectable
5vkqD-3lmmA:
undetectable		 5vkqA-3lmmA:
16.44
5vkqD-3lmmA:
16.44
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.
3lpd ACIDIC EXTRACELLULAR
SUBTILISIN-LIKE
PROTEASE APRV2

(Dichelobacter
nodosus) 		PF00082
(Peptidase_S8) 		4 VAL A 330
HIS A 282
PRO A 250
ILE A 254
 None
 1.06A 5vkqA-3lpdA:
undetectable
5vkqD-3lpdA:
undetectable		 5vkqA-3lpdA:
12.27
5vkqD-3lpdA:
12.27
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.
3m4p ASPARAGINYL-TRNA
SYNTHETASE, PUTATIVE

(Entamoeba
histolytica) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 PRO A 175
ILE A 173
SER A 225
THR A 202
 None
 0.81A 5vkqA-3m4pA:
undetectable
5vkqD-3m4pA:
undetectable		 5vkqA-3m4pA:
13.76
5vkqD-3m4pA:
13.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nvt 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE SYNTHASE

(Listeria
monocytogenes) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 VAL A 329
PRO A 325
ILE A 340
SER A 130
 None
 0.99A 5vkqA-3nvtA:
undetectable
5vkqD-3nvtA:
undetectable		 5vkqA-3nvtA:
14.00
5vkqD-3nvtA:
14.00
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.
3pv6 IG-LIKE
DOMAIN-CONTAINING
PROTEIN
DKFZP686O24166/DKFZP
686I21167
NATURAL CYTOTOXICITY
TRIGGERING RECEPTOR
3

(Homo sapiens;
Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 VAL A 125
ILE A  58
SER B  82
THR A 127
 None
 0.88A 5vkqA-3pv6A:
undetectable
5vkqD-3pv6A:
undetectable		 5vkqA-3pv6A:
9.80
5vkqD-3pv6A:
9.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		4 PHE A   2
VAL A  47
ILE A 233
SER A 251
 None
 1.02A 5vkqA-3rhyA:
undetectable
5vkqD-3rhyA:
undetectable		 5vkqA-3rhyA:
8.83
5vkqD-3rhyA:
8.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sim PROTEIN, FAMILY 18
CHITINASE

(Crocus vernus) 		PF00704
(Glyco_hydro_18) 		4 PHE A 219
ILE A   7
SER A 261
THR A 221
 None
 1.03A 5vkqA-3simA:
undetectable
5vkqD-3simA:
undetectable		 5vkqA-3simA:
8.96
5vkqD-3simA:
8.96
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 PHE A 103
VAL A 372
ILE A 121
THR A 368
 None
 0.80A 5vkqA-3sqlA:
undetectable
5vkqD-3sqlA:
1.1		 5vkqA-3sqlA:
16.23
5vkqD-3sqlA:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3up1 INTERLEUKIN-7
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF00041
(fn3) 		4 PHE A 193
VAL A 107
HIS A  33
THR A 104
 None
 1.06A 5vkqA-3up1A:
undetectable
5vkqD-3up1A:
undetectable		 5vkqA-3up1A:
8.85
5vkqD-3up1A:
8.85
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.
3vkg DYNEIN HEAVY CHAIN,
CYTOPLASMIC

(Dictyostelium
discoideum) 		PF03028
(Dynein_heavy)
PF07728
(AAA_5)
PF08393
(DHC_N2)
PF12774
(AAA_6)
PF12775
(AAA_7)
PF12777
(MT)
PF12780
(AAA_8)
PF12781
(AAA_9) 		4 VAL A3204
PRO A3202
ILE A3200
SER A3230
 None
 1.06A 5vkqA-3vkgA:
undetectable
5vkqD-3vkgA:
undetectable		 5vkqA-3vkgA:
20.03
5vkqD-3vkgA:
20.03
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.
3wel ALPHA-GLUCOSIDASE

(Beta vulgaris) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2)
PF16863
(NtCtMGAM_N) 		4 PRO A 509
ILE A 508
SER A 485
THR A 482
 None
 1.00A 5vkqA-3welA:
undetectable
5vkqD-3welA:
undetectable		 5vkqA-3welA:
20.29
5vkqD-3welA:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 4 PHE A 151
VAL A 154
ILE A 112
THR A 150
 None
 0.89A 5vkqA-3zbqA:
undetectable
5vkqD-3zbqA:
undetectable		 5vkqA-3zbqA:
10.80
5vkqD-3zbqA:
10.80
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 PRO A 288
ILE A 286
SER A 354
THR A 308
 None
None
FAD  A3005 (-2.8A)
FAD  A3005 (-2.9A)
 0.97A 5vkqA-3zyvA:
undetectable
5vkqD-3zyvA:
undetectable		 5vkqA-3zyvA:
22.19
5vkqD-3zyvA:
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.
4aor TRYPSIN INHIBITOR 3

(Spinacia
oleracea) 		no annotation 4 VAL D  26
HIS D  28
PRO D  29
ILE D  30
 None
 0.83A 5vkqA-4aorD:
undetectable
5vkqD-4aorD:
undetectable		 5vkqA-4aorD:
2.29
5vkqD-4aorD:
2.29
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 PHE B2981
PRO B2995
ILE B2912
SER B2990
 None
 1.07A 5vkqA-4bedB:
undetectable
5vkqD-4bedB:
undetectable		 5vkqA-4bedB:
22.24
5vkqD-4bedB:
22.24
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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		4 VAL A 160
ILE A 364
SER A 112
THR A 156
 None
 1.03A 5vkqA-4buoA:
2.6
5vkqD-4buoA:
2.6		 5vkqA-4buoA:
11.86
5vkqD-4buoA:
11.86
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.
4c51 CATALASE-PEROXIDASE

(Mycobacterium
tuberculosis) 		PF00141
(peroxidase) 		4 VAL A 320
PRO A 365
SER A 331
THR A 322
 None
 1.03A 5vkqA-4c51A:
0.0
5vkqD-4c51A:
undetectable		 5vkqA-4c51A:
18.50
5vkqD-4c51A:
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		4 VAL A 139
PRO A  30
ILE A  29
THR A 135
 None
 1.07A 5vkqA-4czbA:
2.0
5vkqD-4czbA:
2.0		 5vkqA-4czbA:
14.02
5vkqD-4czbA:
14.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 PHE A 218
HIS A 186
ILE A 213
THR A 485
 None
 0.97A 5vkqA-4ddqA:
4.1
5vkqD-4ddqA:
4.0		 5vkqA-4ddqA:
14.57
5vkqD-4ddqA:
14.57
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 PHE A 293
VAL A 323
ILE A 250
THR A 383
 None
 1.07A 5vkqA-4fmvA:
undetectable
5vkqD-4fmvA:
undetectable		 5vkqA-4fmvA:
12.70
5vkqD-4fmvA:
12.70
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 PHE A 181
VAL A 217
ILE A  79
THR A 213
 None
 1.01A 5vkqA-4lnfA:
undetectable
5vkqD-4lnfA:
undetectable		 5vkqA-4lnfA:
14.44
5vkqD-4lnfA:
14.44
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.
4lru GLYOXALASE III
(GLUTATHIONE-INDEPEN
DENT)

(Candida
albicans) 		PF01965
(DJ-1_PfpI) 		4 PHE A 101
VAL A 229
ILE A 160
THR A 225
 None
 0.97A 5vkqA-4lruA:
undetectable
5vkqD-4lruA:
undetectable		 5vkqA-4lruA:
8.30
5vkqD-4lruA:
8.30
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.
4lt6 POLY(A) POLYMERASE
GAMMA

(Homo sapiens) 		PF01909
(NTP_transf_2)
PF04926
(PAP_RNA-bind)
PF04928
(PAP_central) 		4 VAL A 335
ILE A 440
SER A 329
THR A 332
 None
 0.96A 5vkqA-4lt6A:
undetectable
5vkqD-4lt6A:
undetectable		 5vkqA-4lt6A:
15.23
5vkqD-4lt6A:
15.23
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.
4nao PUTATIVE OXYGENASE

(Claviceps
purpurea) 		PF05721
(PhyH) 		4 PHE A 170
VAL A 201
ILE A 210
THR A 177
 None
None
None
AKG  A 402 (-2.9A)
 1.04A 5vkqA-4naoA:
undetectable
5vkqD-4naoA:
undetectable		 5vkqA-4naoA:
11.21
5vkqD-4naoA:
11.21
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.
4ony EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY 5

(Brucella
melitensis) 		PF00496
(SBP_bac_5) 		4 VAL A 131
PRO A 193
ILE A 197
SER A 126
 None
 1.02A 5vkqA-4onyA:
undetectable
5vkqD-4onyA:
undetectable		 5vkqA-4onyA:
16.16
5vkqD-4onyA:
16.16
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		4 VAL A 468
HIS A 512
ILE A 454
THR A 466
 None
 1.05A 5vkqA-4r10A:
2.0
5vkqD-4r10A:
undetectable		 5vkqA-4r10A:
16.36
5vkqD-4r10A:
16.36
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.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		4 PHE A 340
ILE A 154
SER A 376
THR A 342
 None
 0.99A 5vkqA-4rl3A:
undetectable
5vkqD-4rl3A:
undetectable		 5vkqA-4rl3A:
9.91
5vkqD-4rl3A:
9.91
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 VAL A 442
ILE A 463
SER A 450
THR A 446
 None
 0.86A 5vkqA-4ye5A:
undetectable
5vkqD-4ye5A:
undetectable		 5vkqA-4ye5A:
16.36
5vkqD-4ye5A:
16.36
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.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		4 VAL B 103
ILE B 210
SER B  92
THR B  94
 None
 1.06A 5vkqA-4za3B:
undetectable
5vkqD-4za3B:
undetectable		 5vkqA-4za3B:
9.68
5vkqD-4za3B:
9.68
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		4 VAL A 603
ILE A 647
SER A 623
THR A 638
 None
 1.05A 5vkqA-5bv9A:
2.6
5vkqD-5bv9A:
2.6		 5vkqA-5bv9A:
17.33
5vkqD-5bv9A:
17.33
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.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		4 PHE A 100
PRO A 453
ILE A 454
SER A 508
 None
 0.86A 5vkqA-5cdiA:
undetectable
5vkqD-5cdiA:
undetectable		 5vkqA-5cdiA:
16.16
5vkqD-5cdiA:
16.16
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.
5cxp POSSIBLE XYLAN
DEGRADATION ENZYME
(GLYCOSYL HYDROLASE
FAMILY 30-LIKE
DOMAIN AND RICIN
B-LIKE DOMAIN)

(Clostridium
acetobutylicum) 		PF02055
(Glyco_hydro_30) 		4 PHE A 293
VAL A 323
ILE A 248
THR A 384
 None
 1.01A 5vkqA-5cxpA:
undetectable
5vkqD-5cxpA:
undetectable		 5vkqA-5cxpA:
12.29
5vkqD-5cxpA:
12.29
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 VAL A 507
HIS A 524
SER A 512
THR A 509
 None
 1.03A 5vkqA-5dmyA:
undetectable
5vkqD-5dmyA:
undetectable		 5vkqA-5dmyA:
19.73
5vkqD-5dmyA:
19.73
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.
5ejw CHROMOBOX PROTEIN
HOMOLOG 7

(Mus musculus) 		PF00385
(Chromo) 		4 VAL A  30
HIS A  47
SER A  -9
THR A  41
 None
None
None
5PZ  A 101 (-3.5A)
 0.97A 5vkqA-5ejwA:
undetectable
5vkqD-5ejwA:
undetectable		 5vkqA-5ejwA:
3.93
5vkqD-5ejwA:
3.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 PHE C 267
VAL C 203
SER C 198
THR C 201
 None
 1.03A 5vkqA-5flzC:
undetectable
5vkqD-5flzC:
undetectable		 5vkqA-5flzC:
14.18
5vkqD-5flzC:
14.18
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.
5gz1 MESO-DIAMINOPIMELATE
D-DEHYDROGENASE

(Ureibacillus
thermosphaericus) 		PF01113
(DapB_N)
PF16654
(DAPDH_C) 		4 VAL A 180
HIS A 197
PRO A 175
ILE A 173
 None
 1.02A 5vkqA-5gz1A:
undetectable
5vkqD-5gz1A:
undetectable		 5vkqA-5gz1A:
12.38
5vkqD-5gz1A:
12.38
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 814
HIS A 786
PRO A 785
ILE B 703
 None
 0.92A 5vkqA-5ip9A:
5.6
5vkqD-5ip9A:
5.6		 5vkqA-5ip9A:
22.20
5vkqD-5ip9A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j44 SERINE PROTEASE SEPA
AUTOTRANSPORTER

(Shigella
flexneri) 		PF02395
(Peptidase_S6) 		4 VAL A  74
ILE A 228
SER A  52
THR A  66
 None
 0.86A 5vkqA-5j44A:
undetectable
5vkqD-5j44A:
undetectable		 5vkqA-5j44A:
20.98
5vkqD-5j44A:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j6f 3-DEOXY-D-ARABINO-HE
PTULOSONATE
7-PHOSPHATE
SYNTHASE, CHORISMATE
MUTASE-ISOZYME 3

(Geobacillus sp.
GHH01) 		PF00793
(DAHP_synth_1)
PF01817
(CM_2) 		4 VAL A 329
PRO A 325
ILE A 340
SER A 130
 None
 1.00A 5vkqA-5j6fA:
undetectable
5vkqD-5j6fA:
undetectable		 5vkqA-5j6fA:
12.47
5vkqD-5j6fA:
12.47
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.
5mqm GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN

(Bacteroides
thetaiotaomicron) 		PF17132
(Glyco_hydro_106) 		4 PHE A 649
PRO A 639
ILE A1074
THR A 642
 None
 1.06A 5vkqA-5mqmA:
undetectable
5vkqD-5mqmA:
undetectable		 5vkqA-5mqmA:
19.71
5vkqD-5mqmA:
19.71
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 VAL A 265
ILE A 219
SER A 269
THR A 267
 None
 0.99A 5vkqA-5n1tA:
undetectable
5vkqD-5n1tA:
undetectable		 5vkqA-5n1tA:
13.68
5vkqD-5n1tA:
13.68
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.
5ta1 GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		no annotation 5 PHE A 274
HIS A 223
ILE A 198
SER A 321
THR A 276
 None
 1.42A 5vkqA-5ta1A:
undetectable
5vkqD-5ta1A:
undetectable		 5vkqA-5ta1A:
16.50
5vkqD-5ta1A:
16.50
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 PHE A 413
ILE A 448
SER A 711
THR A 428
 None
 0.99A 5vkqA-5tr0A:
3.4
5vkqD-5tr0A:
3.4		 5vkqA-5tr0A:
18.88
5vkqD-5tr0A:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5usw DIHYDROPTEROATE
SYNTHASE

(Aliivibrio
fischeri) 		PF00809
(Pterin_bind) 		4 VAL A 268
ILE A 245
SER A 276
THR A 272
 None
 0.83A 5vkqA-5uswA:
undetectable
5vkqD-5uswA:
undetectable		 5vkqA-5uswA:
10.72
5vkqD-5uswA:
10.72
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vkq NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L

(Drosophila
melanogaster) 		PF00023
(Ank)
PF00520
(Ion_trans)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 PHE A1486
VAL A1489
HIS A1492
PRO A1493
ILE A1494
 PCF  A1805 (-3.2A)
PCF  A1805 (-3.8A)
PCF  A1805 ( 3.8A)
PCF  A1805 (-4.0A)
PCF  A1805 ( 4.5A)
 0.00A 5vkqA-5vkqA:
49.7
5vkqD-5vkqA:
48.5		 5vkqA-5vkqA:
100.00
5vkqD-5vkqA:
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.
5x3t RIBONUCLEASE VAPC26

(Mycobacterium
tuberculosis) 		PF01850
(PIN) 		4 PHE B 120
VAL B 133
SER B   6
THR B 114
 None
 0.98A 5vkqA-5x3tB:
undetectable
5vkqD-5x3tB:
undetectable		 5vkqA-5x3tB:
6.60
5vkqD-5x3tB:
6.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 5 PHE A 137
HIS A  91
ILE A  85
SER A 128
THR A 131
 None
None
None
DGL  A 301 ( 4.0A)
None
 1.15A 5vkqA-5xniA:
undetectable
5vkqD-5xniA:
undetectable		 5vkqA-5xniA:
undetectable
5vkqD-5xniA:
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii;
Komagataella
phaffii) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		4 PHE A 815
HIS A 787
PRO A 786
ILE B 700
 None
 0.89A 5vkqA-5xogA:
5.3
5vkqD-5xogA:
3.8		 5vkqA-5xogA:
22.75
5vkqD-5xogA:
22.75
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.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 4 PHE A 446
VAL A 352
ILE A 452
THR A 348
 None
 0.84A 5vkqA-5xxiA:
undetectable
5vkqD-5xxiA:
undetectable		 5vkqA-5xxiA:
13.72
5vkqD-5xxiA:
13.72
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.
5y4e ANKYRIN-2,ANKYRIN-2

(Homo sapiens) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 PHE A1399
ILE A1435
SER A1430
THR A1428
 None
 0.99A 5vkqA-5y4eA:
23.4
5vkqD-5y4eA:
21.5		 5vkqA-5y4eA:
11.66
5vkqD-5y4eA:
11.66
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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 4 VAL A 449
HIS A 376
SER A 433
THR A 431
 None
 0.98A 5vkqA-5y58A:
3.2
5vkqD-5y58A:
3.1		 5vkqA-5y58A:
undetectable
5vkqD-5y58A:
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.
5y7y ARYL HYDROCARBON
RECEPTOR REPRESSOR

(Homo sapiens) 		PF00010
(HLH)
PF00989
(PAS) 		4 VAL A 154
HIS A 150
ILE A  61
SER A  76
 None
 1.03A 5vkqA-5y7yA:
undetectable
5vkqD-5y7yA:
undetectable		 5vkqA-5y7yA:
9.56
5vkqD-5y7yA:
9.56