SIMILAR PATTERNS OF AMINO ACIDS FOR 5VKQ_C_PCFC1803

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.
1fk8 3ALPHA-HYDROXYSTEROI
D
DEHYDROGENASE/CARBON
YL REDUCTASE

(Comamonas
testosteroni) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		4 SER A 117
THR A 163
VAL A 166
ILE A 242
 None
 1.09A 5vkqB-1fk8A:
0.0
5vkqC-1fk8A:
0.0		 5vkqB-1fk8A:
10.22
5vkqC-1fk8A:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gvz KALLIKREIN-1E2

(Equus caballus) 		PF00089
(Trypsin) 		4 SER A  86
PHE A  89
HIS A  48
ILE A 242
 None
None
ACT  A1250 (-4.5A)
ACT  A1250 ( 4.1A)
 0.79A 5vkqB-1gvzA:
undetectable
5vkqC-1gvzA:
undetectable		 5vkqB-1gvzA:
9.24
5vkqC-1gvzA:
9.24
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.
1i7h FERREDOXIN

(Escherichia
coli) 		PF00111
(Fer2) 		4 SER A  65
PHE A  59
HIS A  52
ILE A  54
 None
 0.94A 5vkqB-1i7hA:
undetectable
5vkqC-1i7hA:
undetectable		 5vkqB-1i7hA:
5.51
5vkqC-1i7hA:
5.51
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.
1jof CARBOXY-CIS,CIS-MUCO
NATE CYCLASE

(Neurospora
crassa) 		PF10282
(Lactonase) 		4 SER A 265
THR A 263
PHE A 270
ILE A 295
 None
 1.01A 5vkqB-1jofA:
undetectable
5vkqC-1jofA:
undetectable		 5vkqB-1jofA:
11.64
5vkqC-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.
1mab PROTEIN (F1-ATPASE
BETA CHAIN)

(Rattus
norvegicus) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 SER B  78
PHE B  25
HIS B  52
ILE B  32
 None
 1.12A 5vkqB-1mabB:
undetectable
5vkqC-1mabB:
undetectable		 5vkqB-1mabB:
15.56
5vkqC-1mabB:
15.56
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.
1oi4 HYPOTHETICAL PROTEIN
YHBO

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		4 THR A 176
PHE A 159
HIS A 126
ILE A 148
 None
 1.03A 5vkqB-1oi4A:
undetectable
5vkqC-1oi4A:
undetectable		 5vkqB-1oi4A:
7.39
5vkqC-1oi4A:
7.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		4 SER A  69
PHE A  62
PHE A 204
VAL A 212
 None
None
M2C  A3001 (-4.7A)
None
 1.10A 5vkqB-1qxyA:
undetectable
5vkqC-1qxyA:
undetectable		 5vkqB-1qxyA:
10.05
5vkqC-1qxyA:
10.05
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.
1rh9 ENDO-BETA-MANNANASE

(Solanum
lycopersicum) 		PF00150
(Cellulase) 		4 SER A 381
THR A 384
PHE A 337
VAL A 387
 None
 1.09A 5vkqB-1rh9A:
undetectable
5vkqC-1rh9A:
undetectable		 5vkqB-1rh9A:
12.29
5vkqC-1rh9A:
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.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  86
PHE A  89
HIS A  48
ILE A 242
 None
 0.87A 5vkqB-1spjA:
undetectable
5vkqC-1spjA:
undetectable		 5vkqB-1spjA:
8.83
5vkqC-1spjA:
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.
1txk GLUCANS BIOSYNTHESIS
PROTEIN G

(Escherichia
coli) 		PF04349
(MdoG) 		4 THR A 405
PHE A 254
VAL A 402
PRO A 290
 None
 1.14A 5vkqB-1txkA:
undetectable
5vkqC-1txkA:
undetectable		 5vkqB-1txkA:
13.77
5vkqC-1txkA:
13.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcz RNASE NGR3

(Nicotiana
glutinosa) 		PF00445
(Ribonuclease_T2) 		4 SER A  37
PHE A 204
PHE A  89
PRO A  27
 None
None
5GP  A 296 (-3.9A)
None
 1.08A 5vkqB-1vczA:
undetectable
5vkqC-1vczA:
undetectable		 5vkqB-1vczA:
7.56
5vkqC-1vczA:
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		4 SER A 155
PHE A 213
HIS A 208
ILE A 174
 None
 1.04A 5vkqB-1woqA:
undetectable
5vkqC-1woqA:
undetectable		 5vkqB-1woqA:
10.16
5vkqC-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.
2apo PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE B

(Methanocaldococcus
jannaschii) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		4 PHE A 207
HIS A 247
PRO A 105
ILE A 104
 None
 1.06A 5vkqB-2apoA:
undetectable
5vkqC-2apoA:
undetectable		 5vkqB-2apoA:
12.35
5vkqC-2apoA:
12.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b06 MUTT/NUDIX FAMILY
PROTEIN

(Streptococcus
pneumoniae) 		PF00293
(NUDIX) 		4 THR A  63
VAL A 108
PRO A  41
ILE A  12
 None
 1.06A 5vkqB-2b06A:
undetectable
5vkqC-2b06A:
undetectable		 5vkqB-2b06A:
6.44
5vkqC-2b06A:
6.44
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		4 THR A 285
HIS A 314
PRO A 315
ILE A 316
 None
 0.75A 5vkqB-2bfeA:
undetectable
5vkqC-2bfeA:
undetectable		 5vkqB-2bfeA:
13.26
5vkqC-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.
2cw7 ENDONUCLEASE
PI-PKOII

(Thermococcus
kodakarensis) 		PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		4 THR A  93
PHE A 526
HIS A  73
ILE A  71
 SO4  A1001 (-3.9A)
None
None
None
 1.08A 5vkqB-2cw7A:
undetectable
5vkqC-2cw7A:
undetectable		 5vkqB-2cw7A:
17.05
5vkqC-2cw7A:
17.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dc0 PROBABLE AMIDASE

(Thermus
thermophilus) 		PF01425
(Amidase) 		4 SER A 147
VAL A 312
HIS A 297
ILE A 296
 None
 0.85A 5vkqB-2dc0A:
undetectable
5vkqC-2dc0A:
undetectable		 5vkqB-2dc0A:
13.95
5vkqC-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.
2g36 TRYPTOPHANYL-TRNA
SYNTHETASE

(Thermotoga
maritima) 		PF00579
(tRNA-synt_1b) 		4 THR A 316
PHE A  94
VAL A 312
ILE A 137
 None
None
None
TRP  A 401 (-4.9A)
 0.97A 5vkqB-2g36A:
undetectable
5vkqC-2g36A:
undetectable		 5vkqB-2g36A:
10.98
5vkqC-2g36A:
10.98
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.
2hoq PUTATIVE
HAD-HYDROLASE PH1655

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		4 THR A  12
PHE A 137
PHE A 194
ILE A   5
 None
 1.10A 5vkqB-2hoqA:
2.3
5vkqC-2hoqA:
2.3		 5vkqB-2hoqA:
8.30
5vkqC-2hoqA:
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.
2lly NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
ALPHA-4

(Homo sapiens) 		PF02932
(Neur_chan_memb) 		4 SER A  84
THR A  88
VAL A  91
ILE A 112
 None
 0.95A 5vkqB-2llyA:
2.1
5vkqC-2llyA:
2.0		 5vkqB-2llyA:
6.38
5vkqC-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.
2mev MENGO VIRUS COAT
PROTEIN (SUBUNIT
VP3)

(Cardiovirus A) 		PF00073
(Rhv) 		4 THR 3 111
VAL 3 109
PRO 3  51
ILE 3  50
 None
 0.89A 5vkqB-2mev3:
undetectable
5vkqC-2mev3:
undetectable		 5vkqB-2mev3:
8.61
5vkqC-2mev3:
8.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nwi HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01947
(DUF98) 		4 SER A  14
THR A  16
PRO A  95
ILE A  94
 None
 1.04A 5vkqB-2nwiA:
undetectable
5vkqC-2nwiA:
undetectable		 5vkqB-2nwiA:
6.81
5vkqC-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.
2q42 PUTATIVE
HYDROXYACYLGLUTATHIO
NE HYDROLASE 2

(Arabidopsis
thaliana) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		4 SER A 124
PHE A 128
HIS A  18
ILE A  16
 None
 1.10A 5vkqB-2q42A:
undetectable
5vkqC-2q42A:
undetectable		 5vkqB-2q42A:
9.48
5vkqC-2q42A:
9.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qag SEPTIN-2

(Homo sapiens) 		PF00735
(Septin) 		4 THR A  98
PHE A 126
VAL A  79
ILE A 119
 None
 1.03A 5vkqB-2qagA:
undetectable
5vkqC-2qagA:
undetectable		 5vkqB-2qagA:
11.57
5vkqC-2qagA:
11.57
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.
2rd7 COMPLEMENT COMPONENT
C8 ALPHA CHAIN

(Homo sapiens) 		PF01823
(MACPF) 		4 THR A 260
PHE A 372
PHE A 199
ILE A 337
 None
 1.02A 5vkqB-2rd7A:
undetectable
5vkqC-2rd7A:
undetectable		 5vkqB-2rd7A:
10.82
5vkqC-2rd7A:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2voa EXODEOXYRIBONUCLEASE
III

(Archaeoglobus
fulgidus) 		PF03372
(Exo_endo_phos) 		4 SER A 139
THR A 223
PHE A 184
ILE A   4
 None
 1.13A 5vkqB-2voaA:
undetectable
5vkqC-2voaA:
undetectable		 5vkqB-2voaA:
9.06
5vkqC-2voaA:
9.06
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.
2wsj P-COUMARIC ACID
DECARBOXYLASE

(Lactobacillus
plantarum) 		PF05870
(PA_decarbox) 		4 SER A  71
THR A  75
PHE A  94
ILE A 104
 NA  A1182 (-2.9A)
IPA  A1180 ( 4.3A)
None
None
 0.96A 5vkqB-2wsjA:
undetectable
5vkqC-2wsjA:
undetectable		 5vkqB-2wsjA:
6.99
5vkqC-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.
2yz2 PUTATIVE ABC
TRANSPORTER
ATP-BINDING PROTEIN
TM_0222

(Thermotoga
maritima) 		PF00005
(ABC_tran) 		4 SER A 140
PHE A 131
VAL A  96
ILE A 149
 None
 1.10A 5vkqB-2yz2A:
undetectable
5vkqC-2yz2A:
undetectable		 5vkqB-2yz2A:
10.16
5vkqC-2yz2A:
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.
2z65 LYMPHOCYTE ANTIGEN
96

(Homo sapiens) 		PF02221
(E1_DerP2_DerF2) 		4 THR C 115
PHE C 104
VAL C 113
ILE C  46
 None
E55  C   1 (-4.4A)
None
E55  C   1 (-4.6A)
 1.07A 5vkqB-2z65C:
undetectable
5vkqC-2z65C:
undetectable		 5vkqB-2z65C:
5.28
5vkqC-2z65C:
5.28
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.
2zr2 SERYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		4 PHE A 202
HIS A 421
PRO A 431
ILE A 417
 None
 1.14A 5vkqB-2zr2A:
5.2
5vkqC-2zr2A:
5.2		 5vkqB-2zr2A:
13.12
5vkqC-2zr2A:
13.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0h PHOTOSYSTEM II CORE
LIGHT HARVESTING
PROTEIN
PHOTOSYSTEM II D2
PROTEIN

(Thermosynechococcus
vulcanus;
Thermosynechococcus
vulcanus) 		PF00421
(PSII)
PF00124
(Photo_RC) 		4 SER B 365
PHE D 341
VAL D 345
PRO D 347
 None
 1.00A 5vkqB-3a0hB:
4.1
5vkqC-3a0hB:
4.1		 5vkqB-3a0hB:
15.42
5vkqC-3a0hB:
15.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 SER A 349
THR A 353
PHE A 377
ILE A  39
 None
 1.05A 5vkqB-3acpA:
undetectable
5vkqC-3acpA:
undetectable		 5vkqB-3acpA:
13.18
5vkqC-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
 0.99A 5vkqB-3b46A:
undetectable
5vkqC-3b46A:
undetectable		 5vkqB-3b46A:
14.39
5vkqC-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.
3bkw S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Mesorhizobium
japonicum) 		PF08241
(Methyltransf_11) 		4 THR A 196
HIS A 145
PRO A 146
ILE A 147
 EDO  A 243 (-3.0A)
None
None
None
 1.14A 5vkqB-3bkwA:
undetectable
5vkqC-3bkwA:
undetectable		 5vkqB-3bkwA:
9.81
5vkqC-3bkwA:
9.81
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		4 THR A 516
PHE A 425
VAL A 462
ILE A 365
 None
 1.09A 5vkqB-3clwA:
undetectable
5vkqC-3clwA:
undetectable		 5vkqB-3clwA:
14.04
5vkqC-3clwA:
14.04
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 SER A 122
THR A 168
PHE A 137
ILE A 164
 None
PMP  A 401 (-3.9A)
None
None
 1.12A 5vkqB-3cq5A:
3.3
5vkqC-3cq5A:
3.3		 5vkqB-3cq5A:
12.49
5vkqC-3cq5A:
12.49
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.
3e02 UNCHARACTERIZED
PROTEIN DUF849

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 SER A 164
THR A 166
PHE A 168
VAL A 108
 None
 1.07A 5vkqB-3e02A:
undetectable
5vkqC-3e02A:
undetectable		 5vkqB-3e02A:
11.01
5vkqC-3e02A:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e1h PUTATIVE
UNCHARACTERIZED
PROTEIN

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		4 SER A 339
THR A 343
VAL A 347
ILE A 334
 None
 0.96A 5vkqB-3e1hA:
undetectable
5vkqC-3e1hA:
undetectable		 5vkqB-3e1hA:
14.09
5vkqC-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 SER B 317
HIS B  26
PRO B  27
ILE B  28
 None
 0.59A 5vkqB-3ejbB:
undetectable
5vkqC-3ejbB:
undetectable		 5vkqB-3ejbB:
13.92
5vkqC-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 SER A 120
PHE A  26
VAL A 113
ILE A  50
 SER  A 120 ( 0.0A)
PHE  A  26 ( 1.3A)
VAL  A 113 ( 0.6A)
ILE  A  50 ( 0.7A)
 1.11A 5vkqB-3eqzA:
undetectable
5vkqC-3eqzA:
undetectable		 5vkqB-3eqzA:
5.66
5vkqC-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 SER A 339
THR A 343
VAL A 347
ILE A 334
 None
 0.94A 5vkqB-3euoA:
undetectable
5vkqC-3euoA:
undetectable		 5vkqB-3euoA:
12.20
5vkqC-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.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		4 SER A 314
THR A 311
HIS A  77
ILE A 307
 None
 1.07A 5vkqB-3fvcA:
undetectable
5vkqC-3fvcA:
undetectable		 5vkqB-3fvcA:
17.06
5vkqC-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.
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
 0.88A 5vkqB-3h0gA:
3.2
5vkqC-3h0gA:
3.1		 5vkqB-3h0gA:
22.63
5vkqC-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.
3j09 COPPER-EXPORTING
P-TYPE ATPASE A

(Archaeoglobus
fulgidus) 		PF00122
(E1-E2_ATPase)
PF00403
(HMA)
PF00702
(Hydrolase) 		4 THR A 426
HIS A 462
PRO A 463
ILE A 464
 None
 1.12A 5vkqB-3j09A:
2.4
5vkqC-3j09A:
2.5		 5vkqB-3j09A:
19.08
5vkqC-3j09A:
19.08
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.
3khs PURINE NUCLEOSIDE
PHOSPHORYLASE

(Singapore
grouper
iridovirus) 		PF01048
(PNP_UDP_1) 		4 THR A 111
PHE A 100
VAL A 235
ILE A 107
 None
 1.04A 5vkqB-3khsA:
undetectable
5vkqC-3khsA:
undetectable		 5vkqB-3khsA:
10.41
5vkqC-3khsA:
10.41
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.
3mzs CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME

(Bos taurus) 		PF00067
(p450) 		4 SER A 206
PHE A 458
VAL A 199
ILE A 351
 None
HC9  A 501 (-4.8A)
None
HEM  A 500 ( 4.4A)
 1.06A 5vkqB-3mzsA:
2.0
5vkqC-3mzsA:
undetectable		 5vkqB-3mzsA:
14.66
5vkqC-3mzsA:
14.66
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.
3qum PROSTATE-SPECIFIC
ANTIGEN

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER P  86
PHE P  89
HIS P  48
ILE P 242
 None
 0.92A 5vkqB-3qumP:
undetectable
5vkqC-3qumP:
undetectable		 5vkqB-3qumP:
9.24
5vkqC-3qumP:
9.24
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.
3rhy N(G),N(G)-DIMETHYLAR
GININE
DIMETHYLAMINOHYDROLA
SE

(Pseudomonas
aeruginosa) 		PF02274
(Amidinotransf) 		4 SER A 251
PHE A   2
VAL A  47
ILE A 233
 None
 1.00A 5vkqB-3rhyA:
undetectable
5vkqC-3rhyA:
undetectable		 5vkqB-3rhyA:
8.83
5vkqC-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.
3s4y THIAMIN
PYROPHOSPHOKINASE 1

(Homo sapiens) 		PF04263
(TPK_catalytic)
PF04265
(TPK_B1_binding) 		4 THR A 231
PHE A 143
VAL A 229
ILE A 186
 None
 1.16A 5vkqB-3s4yA:
undetectable
5vkqC-3s4yA:
undetectable		 5vkqB-3s4yA:
8.91
5vkqC-3s4yA:
8.91
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.
3u5r UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF00578
(AhpC-TSA) 		4 SER E 198
PHE E 148
VAL E  74
ILE E  98
 None
 1.14A 5vkqB-3u5rE:
undetectable
5vkqC-3u5rE:
undetectable		 5vkqB-3u5rE:
8.31
5vkqC-3u5rE:
8.31
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.
3up1 INTERLEUKIN-7
RECEPTOR SUBUNIT
ALPHA

(Homo sapiens) 		PF00041
(fn3) 		4 THR A 104
PHE A 193
VAL A 107
HIS A  33
 None
 1.06A 5vkqB-3up1A:
undetectable
5vkqC-3up1A:
undetectable		 5vkqB-3up1A:
8.85
5vkqC-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.
3zbq PHIKZ039

(Pseudomonas
virus phiKZ) 		no annotation 4 THR A 150
PHE A 151
VAL A 154
ILE A 112
 None
 0.88A 5vkqB-3zbqA:
undetectable
5vkqC-3zbqA:
undetectable		 5vkqB-3zbqA:
10.80
5vkqC-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 SER A 354
THR A 308
PRO A 288
ILE A 286
 FAD  A3005 (-2.8A)
FAD  A3005 (-2.9A)
None
None
 0.97A 5vkqB-3zyvA:
undetectable
5vkqC-3zyvA:
0.6		 5vkqB-3zyvA:
22.19
5vkqC-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
 0.85A 5vkqB-4aorD:
undetectable
5vkqC-4aorD:
undetectable		 5vkqB-4aorD:
2.29
5vkqC-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.
4buo NEUROTENSIN RECEPTOR
TYPE 1

(Rattus
norvegicus) 		PF00001
(7tm_1) 		4 SER A 112
THR A 156
VAL A 160
ILE A 364
 None
 0.99A 5vkqB-4buoA:
2.6
5vkqC-4buoA:
2.6		 5vkqB-4buoA:
11.86
5vkqC-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.
4ckk DNA GYRASE SUBUNIT A

(Escherichia
coli) 		PF00521
(DNA_topoisoIV) 		4 THR A 519
PHE A 217
HIS A 185
ILE A 212
 None
 1.14A 5vkqB-4ckkA:
2.6
5vkqC-4ckkA:
2.6		 5vkqB-4ckkA:
15.08
5vkqC-4ckkA:
15.08
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.
4czb NA(+)/H(+)
ANTIPORTER 1

(Methanocaldococcus
jannaschii) 		PF00999
(Na_H_Exchanger) 		4 THR A 135
VAL A 139
PRO A  30
ILE A  29
 None
 1.09A 5vkqB-4czbA:
2.0
5vkqC-4czbA:
2.0		 5vkqB-4czbA:
14.02
5vkqC-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.
4d3y LEGUMAIN

(Cricetulus
griseus) 		PF01650
(Peptidase_C13) 		4 SER A 270
THR A 267
VAL A 263
ILE A 191
 None
 1.12A 5vkqB-4d3yA:
undetectable
5vkqC-4d3yA:
undetectable		 5vkqB-4d3yA:
14.05
5vkqC-4d3yA:
14.05
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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		4 THR A 485
PHE A 218
HIS A 186
ILE A 213
 None
 1.01A 5vkqB-4ddqA:
4.1
5vkqC-4ddqA:
4.1		 5vkqB-4ddqA:
14.57
5vkqC-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.
4ilk STARVATION SENSING
PROTEIN RSPB

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 SER A 205
PHE A 146
VAL A 191
ILE A 172
 None
None
None
NAI  A 401 (-3.9A)
 0.89A 5vkqB-4ilkA:
undetectable
5vkqC-4ilkA:
undetectable		 5vkqB-4ilkA:
12.46
5vkqC-4ilkA:
12.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4js5 EXODEOXYRIBONUCLEASE
I

(Escherichia
coli) 		PF00929
(RNase_T)
PF08411
(Exonuc_X-T_C) 		4 THR A 190
VAL A 187
HIS A  14
ILE A  99
 None
 1.14A 5vkqB-4js5A:
0.0
5vkqC-4js5A:
undetectable		 5vkqB-4js5A:
14.71
5vkqC-4js5A:
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 PHE A 285
PHE A 308
PRO A 291
ILE A 320
 None
 1.06A 5vkqB-4l7tA:
undetectable
5vkqC-4l7tA:
undetectable		 5vkqB-4l7tA:
15.08
5vkqC-4l7tA:
15.08
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.
4lnf GLUTAMINE SYNTHETASE

(Bacillus
subtilis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 THR A 213
PHE A 181
VAL A 217
ILE A  79
 None
 1.02A 5vkqB-4lnfA:
undetectable
5vkqC-4lnfA:
undetectable		 5vkqB-4lnfA:
14.44
5vkqC-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 THR A 225
PHE A 101
VAL A 229
ILE A 160
 None
 0.94A 5vkqB-4lruA:
undetectable
5vkqC-4lruA:
undetectable		 5vkqB-4lruA:
8.30
5vkqC-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.
4nff KALLIKREIN-2

(Homo sapiens) 		PF00089
(Trypsin) 		4 SER A  86
PHE A  89
HIS A  48
ILE A 242
 None
 1.03A 5vkqB-4nffA:
undetectable
5vkqC-4nffA:
undetectable		 5vkqB-4nffA:
8.93
5vkqC-4nffA:
8.93
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.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 THR B1486
PHE B1218
HIS B1186
ILE B1213
 None
 1.13A 5vkqB-4plbB:
4.3
5vkqC-4plbB:
4.2		 5vkqB-4plbB:
17.69
5vkqC-4plbB:
17.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q34 UNCHARACTERIZED
PROTEIN

(Parabacteroides
distasonis) 		PF12697
(Abhydrolase_6) 		4 THR A 237
PHE A 171
PHE A 235
ILE A 245
 None
 0.91A 5vkqB-4q34A:
undetectable
5vkqC-4q34A:
undetectable		 5vkqB-4q34A:
11.10
5vkqC-4q34A:
11.10
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.
4q3n MGS-M5

(unidentified) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 SER A 120
THR A  78
VAL A   8
ILE A  36
 None
 1.15A 5vkqB-4q3nA:
undetectable
5vkqC-4q3nA:
undetectable		 5vkqB-4q3nA:
10.73
5vkqC-4q3nA:
10.73
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.
4xhj ENVELOPE
GLYCOPROTEIN H

(Human
alphaherpesvirus
3) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 THR A 584
PHE A 620
VAL A 589
ILE A 552
 None
 1.15A 5vkqB-4xhjA:
undetectable
5vkqC-4xhjA:
undetectable		 5vkqB-4xhjA:
19.28
5vkqC-4xhjA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 SER A 450
THR A 446
VAL A 442
ILE A 463
 None
 0.91A 5vkqB-4ye5A:
undetectable
5vkqC-4ye5A:
undetectable		 5vkqB-4ye5A:
16.36
5vkqC-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.
4z0c TOLL-LIKE RECEPTOR
13

(Mus musculus) 		PF00560
(LRR_1)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 SER A 612
THR A 583
PRO A 587
ILE A 590
 None
 1.13A 5vkqB-4z0cA:
undetectable
5vkqC-4z0cA:
undetectable		 5vkqB-4z0cA:
17.94
5vkqC-4z0cA:
17.94
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.
4za3 RRNA N-GLYCOSIDASE

(Momordica
charantia) 		PF00652
(Ricin_B_lectin) 		4 SER B  92
THR B  94
VAL B 103
ILE B 210
 None
 1.03A 5vkqB-4za3B:
undetectable
5vkqC-4za3B:
undetectable		 5vkqB-4za3B:
9.68
5vkqC-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.
5a4a MATERNAL EFFECT
PROTEIN OSKAR

(Drosophila
melanogaster) 		PF17182
(OSK) 		4 PHE A 568
HIS A 556
PRO A 522
ILE A 560
 None
 1.10A 5vkqB-5a4aA:
undetectable
5vkqC-5a4aA:
undetectable		 5vkqB-5a4aA:
8.04
5vkqC-5a4aA:
8.04
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.
5cd6 TPR-DOMAIN
CONTAINING PROTEIN

(Parabacteroides
distasonis) 		PF17128
(DUF5107) 		4 PHE A 134
VAL A 189
PRO A 317
ILE A 318
 None
 1.08A 5vkqB-5cd6A:
undetectable
5vkqC-5cd6A:
undetectable		 5vkqB-5cd6A:
15.61
5vkqC-5cd6A:
15.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cdi CHAPERONIN 60B1

(Chlamydomonas
reinhardtii) 		PF00118
(Cpn60_TCP1) 		4 SER A 508
PHE A 100
PRO A 453
ILE A 454
 None
 0.86A 5vkqB-5cdiA:
undetectable
5vkqC-5cdiA:
undetectable		 5vkqB-5cdiA:
16.16
5vkqC-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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 THR A 486
PHE A 218
HIS A 186
ILE A 213
 THR  A 486 ( 0.8A)
PHE  A 218 ( 1.3A)
HIS  A 186 ( 1.0A)
ILE  A 213 ( 0.6A)
 1.15A 5vkqB-5cdnA:
3.2
5vkqC-5cdnA:
3.2		 5vkqB-5cdnA:
14.36
5vkqC-5cdnA:
14.36
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.
5e0e CYTOCHROME P450
FAMILY 2 SUBFAMILY B

(Neotoma lepida) 		PF00067
(p450) 		4 THR A 386
VAL A  76
HIS A  69
PRO A  74
 None
 1.16A 5vkqB-5e0eA:
undetectable
5vkqC-5e0eA:
undetectable		 5vkqB-5e0eA:
13.56
5vkqC-5e0eA:
13.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5flz TUBULIN GAMMA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		4 SER C 198
THR C 201
PHE C 267
VAL C 203
 None
 1.05A 5vkqB-5flzC:
undetectable
5vkqC-5flzC:
undetectable		 5vkqB-5flzC:
14.18
5vkqC-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.
5fpz PECTIN DEGRADATION
PROTEIN

(Yersinia
enterocolitica) 		PF07883
(Cupin_2) 		4 PHE A 102
PHE A  62
VAL A  64
ILE A  54
 MLA  A1112 (-4.6A)
None
None
None
 1.10A 5vkqB-5fpzA:
undetectable
5vkqC-5fpzA:
undetectable		 5vkqB-5fpzA:
5.09
5vkqC-5fpzA:
5.09
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.
5g5a GLUTATHIONE
S-TRANSFERASE U25

(Arabidopsis
thaliana) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		4 PHE A 150
PHE A  30
VAL A  28
ILE A  71
 None
 1.00A 5vkqB-5g5aA:
undetectable
5vkqC-5g5aA:
undetectable		 5vkqB-5g5aA:
8.22
5vkqC-5g5aA:
8.22
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		4 SER A 257
THR A 254
PRO A 491
ILE A 516
 None
 1.15A 5vkqB-5hqnA:
undetectable
5vkqC-5hqnA:
undetectable		 5vkqB-5hqnA:
14.15
5vkqC-5hqnA:
14.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.90A 5vkqB-5ip9A:
5.6
5vkqC-5ip9A:
5.6		 5vkqB-5ip9A:
22.20
5vkqC-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 SER A  52
THR A  66
VAL A  74
ILE A 228
 None
 0.82A 5vkqB-5j44A:
undetectable
5vkqC-5j44A:
undetectable		 5vkqB-5j44A:
20.98
5vkqC-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.
5m3l EXTRACELLULAR
GLOBIN-2

(Lumbricus
terrestris) 		PF00042
(Globin) 		4 THR B  37
PHE B  38
VAL B  41
ILE B 101
 None
 1.14A 5vkqB-5m3lB:
undetectable
5vkqC-5m3lB:
undetectable		 5vkqB-5m3lB:
5.85
5vkqC-5m3lB:
5.85
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA
METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT GAMMA

(Methanothermococcus
thermolithotrophicus;
Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
PF02240
(MCR_gamma) 		4 SER C 119
THR C 117
VAL C 115
ILE B 337
 None
 1.08A 5vkqB-5n1qC:
undetectable
5vkqC-5n1qC:
undetectable		 5vkqB-5n1qC:
9.64
5vkqC-5n1qC:
9.64
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 SER A 269
THR A 267
VAL A 265
ILE A 219
 None
 0.98A 5vkqB-5n1tA:
undetectable
5vkqC-5n1tA:
undetectable		 5vkqB-5n1tA:
13.68
5vkqC-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.
5nsq AMINOPEPTIDASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00883
(Peptidase_M17) 		4 PHE A 453
VAL A 442
HIS A 493
ILE A 479
 None
 0.71A 5vkqB-5nsqA:
undetectable
5vkqC-5nsqA:
undetectable		 5vkqB-5nsqA:
15.17
5vkqC-5nsqA:
15.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t9g GLYCOSIDE HYDROLASE

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 SER A 513
THR A 448
PHE A 451
PRO A 465
 None
 1.16A 5vkqB-5t9gA:
undetectable
5vkqC-5t9gA:
undetectable		 5vkqB-5t9gA:
18.53
5vkqC-5t9gA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 SER A 711
THR A 428
PHE A 413
ILE A 448
 None
 0.97A 5vkqB-5tr0A:
3.4
5vkqC-5tr0A:
3.3		 5vkqB-5tr0A:
18.88
5vkqC-5tr0A:
18.88
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) 		6 PHE A1452
PHE A1486
VAL A1489
HIS A1492
PRO A1493
ILE A1494
 None
PCF  A1805 (-3.2A)
PCF  A1805 (-3.8A)
PCF  A1805 ( 3.8A)
PCF  A1805 (-4.0A)
PCF  A1805 ( 4.5A)
 0.00A 5vkqB-5vkqA:
48.6
5vkqC-5vkqA:
48.6		 5vkqB-5vkqA:
100.00
5vkqC-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 SER B   6
THR B 114
PHE B 120
VAL B 133
 None
 1.00A 5vkqB-5x3tB:
undetectable
5vkqC-5x3tB:
undetectable		 5vkqB-5x3tB:
6.60
5vkqC-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 4 SER A 128
THR A 131
HIS A  91
ILE A  85
 DGL  A 301 ( 4.0A)
None
None
None
 1.13A 5vkqB-5xniA:
undetectable
5vkqC-5xniA:
undetectable		 5vkqB-5xniA:
undetectable
5vkqC-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.
5xni MCYF

(Microcystis
aeruginosa) 		no annotation 4 SER A 128
THR A 131
PHE A 137
HIS A  91
 DGL  A 301 ( 4.0A)
None
None
None
 0.97A 5vkqB-5xniA:
undetectable
5vkqC-5xniA:
undetectable		 5vkqB-5xniA:
undetectable
5vkqC-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
 0.87A 5vkqB-5xogA:
3.8
5vkqC-5xogA:
3.8		 5vkqB-5xogA:
22.75
5vkqC-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.
5y58 ATP-DEPENDENT DNA
HELICASE II SUBUNIT
1

(Saccharomyces
cerevisiae) 		no annotation 4 SER A 433
THR A 431
VAL A 449
HIS A 376
 None
 0.97A 5vkqB-5y58A:
3.2
5vkqC-5y58A:
3.1		 5vkqB-5y58A:
undetectable
5vkqC-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.
5yk7 MAINTENANCE OF
MITOCHONDRIAL
MORPHOLOGY PROTEIN 1

(Zygosaccharomyces
rouxii) 		no annotation 4 PHE A 222
PHE A 338
PRO A 277
ILE A 230
 None
 1.06A 5vkqB-5yk7A:
undetectable
5vkqC-5yk7A:
undetectable		 5vkqB-5yk7A:
undetectable
5vkqC-5yk7A:
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.
6bmm HUMAN DHHC20
PALMITOYLTRANSFERASE

(Homo sapiens) 		no annotation 4 THR A  23
PHE A  74
PHE A  24
VAL A  27
 None
 1.12A 5vkqB-6bmmA:
2.9
5vkqC-6bmmA:
2.9		 5vkqB-6bmmA:
undetectable
5vkqC-6bmmA:
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.
6br8 PROTEIN A6 HOMOLOG

(Fowlpox virus) 		no annotation 4 SER A 316
THR A 190
VAL A 193
ILE A 133
 None
 1.17A 5vkqB-6br8A:
undetectable
5vkqC-6br8A:
undetectable		 5vkqB-6br8A:
undetectable
5vkqC-6br8A:
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.
6br9 PROTEIN A6 HOMOLOG

(Fowlpox virus) 		no annotation 4 SER A 316
THR A 190
VAL A 193
ILE A 133
 None
 1.14A 5vkqB-6br9A:
undetectable
5vkqC-6br9A:
undetectable		 5vkqB-6br9A:
undetectable
5vkqC-6br9A:
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.
6dkh L-IDONATE
5-DEHYDROGENASE
(NAD(P)(+))

(Escherichia
coli) 		no annotation 4 SER A 315
PHE A 151
PRO A 180
ILE A 181
 None
 1.15A 5vkqB-6dkhA:
undetectable
5vkqC-6dkhA:
undetectable		 5vkqB-6dkhA:
undetectable
5vkqC-6dkhA:
undetectable