SIMILAR PATTERNS OF AMINO ACIDS FOR 6GIQ_T_PCFT101_0

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.
1dj2 ADENYLOSUCCINATE
SYNTHETASE

(Arabidopsis
thaliana) 		PF00709
(Adenylsucc_synt) 		4 ASP A 181
TYR A 196
GLY A 193
VAL A 132
 None
 1.05A 6giqL-1dj2A:
0.0
6giqP-1dj2A:
0.0
6giqT-1dj2A:
0.0		 6giqL-1dj2A:
23.75
6giqP-1dj2A:
21.41
6giqT-1dj2A:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		4 ASP A  35
TYR A  70
GLY A 313
SER A 398
 None
 1.10A 6giqL-1h79A:
1.2
6giqP-1h79A:
0.0
6giqT-1h79A:
0.0		 6giqL-1h79A:
22.36
6giqP-1h79A:
16.64
6giqT-1h79A:
7.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jdp ATRIAL NATRIURETIC
PEPTIDE CLEARANCE
RECEPTOR

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 ASP A 161
GLY A  64
SER A  61
ASN A 167
 None
None
CL  A 503 (-2.9A)
None
 0.67A 6giqL-1jdpA:
0.1
6giqP-1jdpA:
0.0
6giqT-1jdpA:
0.0		 6giqL-1jdpA:
23.34
6giqP-1jdpA:
16.78
6giqT-1jdpA:
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.
1k4j ACYL-HOMOSERINELACTO
NE SYNTHASE ESAI

(Pantoea
stewartii) 		PF00765
(Autoind_synth) 		4 ASP A  48
SER A  44
TYR A  54
GLY A  57
 None
 1.04A 6giqL-1k4jA:
0.0
6giqP-1k4jA:
0.0
6giqT-1k4jA:
undetectable		 6giqL-1k4jA:
19.31
6giqP-1k4jA:
20.78
6giqT-1k4jA:
15.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 GLY A 370
SER A 453
ASN A 327
VAL A 374
 None
 1.11A 6giqL-1kq0A:
0.0
6giqP-1kq0A:
0.0
6giqT-1kq0A:
0.0		 6giqL-1kq0A:
21.05
6giqP-1kq0A:
17.15
6giqT-1kq0A:
8.77
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.
1m1c MAJOR COAT PROTEIN

(Saccharomyces
cerevisiae
virus L-A) 		PF09220
(LA-virus_coat) 		4 ASP A 543
SER A 469
GLY A 601
VAL A 598
 None
 0.98A 6giqL-1m1cA:
0.0
6giqP-1m1cA:
0.0
6giqT-1m1cA:
0.0		 6giqL-1m1cA:
21.06
6giqP-1m1cA:
16.64
6giqT-1m1cA:
6.76
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.
1olt OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06969
(HemN_C) 		4 TYR A 313
GLY A 317
ASN A 380
VAL A 305
 None
 1.01A 6giqL-1oltA:
0.0
6giqP-1oltA:
0.0
6giqT-1oltA:
0.0		 6giqL-1oltA:
24.07
6giqP-1oltA:
17.95
6giqT-1oltA:
10.95
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.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		4 ASP A 198
SER A 197
TYR A 182
GLY A 244
 None
 0.94A 6giqL-1qi7A:
0.0
6giqP-1qi7A:
0.0
6giqT-1qi7A:
0.0		 6giqL-1qi7A:
21.56
6giqP-1qi7A:
22.76
6giqT-1qi7A:
16.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rm8 MATRIX
METALLOPROTEINASE-16

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 ASP A 195
SER A 197
TYR A 210
GLY A 253
 ZN  A 501 (-2.3A)
None
None
None
 1.01A 6giqL-1rm8A:
0.0
6giqP-1rm8A:
0.0
6giqT-1rm8A:
undetectable		 6giqL-1rm8A:
17.59
6giqP-1rm8A:
19.09
6giqT-1rm8A:
24.53
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.
1rrh SEED LIPOXYGENASE-3

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ASP A 509
GLY A 829
ASN A 725
VAL A 350
 None
 1.09A 6giqL-1rrhA:
undetectable
6giqP-1rrhA:
undetectable
6giqT-1rrhA:
undetectable		 6giqL-1rrhA:
21.50
6giqP-1rrhA:
13.82
6giqT-1rrhA:
6.33
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.
1tmo TRIMETHYLAMINE
N-OXIDE REDUCTASE

(Shewanella
massilia) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		4 MET A  50
GLY A 441
SER A 127
VAL A 469
 None
2MD  A 799 (-3.7A)
2MD  A 799 (-3.4A)
None
 0.94A 6giqL-1tmoA:
undetectable
6giqP-1tmoA:
undetectable
6giqT-1tmoA:
undetectable		 6giqL-1tmoA:
20.64
6giqP-1tmoA:
13.75
6giqT-1tmoA:
6.20
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.
1v5c CHITOSANASE

(Bacillus sp.
(in: Bacteria)) 		PF01270
(Glyco_hydro_8) 		4 ASP A  94
TYR A 103
GLY A 125
SER A 191
 None
 1.01A 6giqL-1v5cA:
undetectable
6giqP-1v5cA:
undetectable
6giqT-1v5cA:
undetectable		 6giqL-1v5cA:
21.30
6giqP-1v5cA:
23.36
6giqT-1v5cA:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ASP A 230
TYR A 327
GLY A 310
VAL A 175
 None
 1.08A 6giqL-1z8lA:
1.2
6giqP-1z8lA:
undetectable
6giqT-1z8lA:
undetectable		 6giqL-1z8lA:
21.54
6giqP-1z8lA:
15.13
6giqT-1z8lA:
6.98
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.
1zrm L-2-HALOACID
DEHALOGENASE

(Pseudomonas sp.
YL) 		PF13419
(HAD_2) 		4 ASP A 145
SER A 143
TYR A  57
ASN A 119
 None
None
None
BUA  A 300 (-4.1A)
 1.10A 6giqL-1zrmA:
undetectable
6giqP-1zrmA:
undetectable
6giqT-1zrmA:
undetectable		 6giqL-1zrmA:
21.59
6giqP-1zrmA:
20.82
6giqT-1zrmA:
13.27
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.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		4 ASP A  89
SER A  90
GLY A 186
VAL A 183
 None
 1.12A 6giqL-2ashA:
undetectable
6giqP-2ashA:
undetectable
6giqT-2ashA:
undetectable		 6giqL-2ashA:
22.20
6giqP-2ashA:
19.79
6giqT-2ashA:
12.94
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.
2b3j TRNA ADENOSINE
DEAMINASE

(Staphylococcus
aureus) 		PF14437
(MafB19-deam) 		4 ASP A 103
SER A 112
TYR A 100
SER A  93
 None
 1.10A 6giqL-2b3jA:
undetectable
6giqP-2b3jA:
undetectable
6giqT-2b3jA:
undetectable		 6giqL-2b3jA:
16.16
6giqP-2b3jA:
19.44
6giqT-2b3jA:
18.12
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 SER A 760
GLY A 736
SER A 467
VAL A 740
 None
 1.11A 6giqL-2cn3A:
undetectable
6giqP-2cn3A:
undetectable
6giqT-2cn3A:
undetectable		 6giqL-2cn3A:
19.38
6giqP-2cn3A:
14.38
6giqT-2cn3A:
7.17
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A 260
TYR A 301
GLY A 314
ASN A 279
 None
 0.99A 6giqL-2dphA:
undetectable
6giqP-2dphA:
undetectable
6giqT-2dphA:
undetectable		 6giqL-2dphA:
23.17
6giqP-2dphA:
21.36
6giqT-2dphA:
10.63
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.
2e28 PYRUVATE KINASE

(Geobacillus
stearothermophilus) 		PF00224
(PK)
PF00391
(PEP-utilizers)
PF02887
(PK_C) 		4 SER A 313
GLY A 240
SER A 268
VAL A 243
 None
 0.91A 6giqL-2e28A:
undetectable
6giqP-2e28A:
undetectable
6giqT-2e28A:
undetectable		 6giqL-2e28A:
22.95
6giqP-2e28A:
19.25
6giqT-2e28A:
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum) 		PF14498
(Glyco_hyd_65N_2) 		4 SER A 580
TYR A 653
GLY A 656
VAL A 643
 None
 1.05A 6giqL-2eaeA:
undetectable
6giqP-2eaeA:
undetectable
6giqT-2eaeA:
undetectable		 6giqL-2eaeA:
18.58
6giqP-2eaeA:
13.39
6giqT-2eaeA:
5.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eu9 DUAL SPECIFICITY
PROTEIN KINASE CLK3

(Homo sapiens) 		PF00069
(Pkinase) 		4 ASP A 224
TYR A 156
GLY A 160
VAL A 170
 None
 1.10A 6giqL-2eu9A:
undetectable
6giqP-2eu9A:
undetectable
6giqT-2eu9A:
undetectable		 6giqL-2eu9A:
22.01
6giqP-2eu9A:
20.59
6giqT-2eu9A:
14.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i2x METHYLTRANSFERASE 1

(Methanosarcina
barkeri) 		PF12176
(MtaB) 		4 ASP A 354
TYR A 372
GLY A 379
SER A 381
 None
 1.06A 6giqL-2i2xA:
undetectable
6giqP-2i2xA:
undetectable
6giqT-2i2xA:
undetectable		 6giqL-2i2xA:
21.81
6giqP-2i2xA:
18.64
6giqT-2i2xA:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		4 ASP A 363
SER A 362
GLY A  56
SER A  58
 None
 1.07A 6giqL-2jb1A:
undetectable
6giqP-2jb1A:
undetectable
6giqT-2jb1A:
undetectable		 6giqL-2jb1A:
21.65
6giqP-2jb1A:
18.78
6giqT-2jb1A:
10.56
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.
2la3 UNCHARACTERIZED
PROTEIN

(Streptococcus
pneumoniae) 		PF06042
(NTP_transf_6) 		4 ASP A  64
SER A  42
TYR A 121
VAL A 142
 None
 0.98A 6giqL-2la3A:
undetectable
6giqP-2la3A:
undetectable
6giqT-2la3A:
undetectable		 6giqL-2la3A:
17.66
6giqP-2la3A:
24.36
6giqT-2la3A:
14.88
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.
2m07 OUTER MEMBRANE
PROTEIN X

(Escherichia
coli) 		PF13505
(OMP_b-brl) 		4 MET A  21
TYR A  45
GLY A  86
SER A 108
 None
 1.09A 6giqL-2m07A:
undetectable
6giqP-2m07A:
undetectable
6giqT-2m07A:
undetectable		 6giqL-2m07A:
14.22
6giqP-2m07A:
20.67
6giqT-2m07A:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pok PEPTIDASE,
M20/M25/M40 FAMILY

(Streptococcus
pneumoniae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 374
SER A 373
SER A 455
VAL A 383
 BGC  A 459 (-3.6A)
BGC  A 459 (-4.9A)
BGC  A 458 (-3.7A)
None
 0.72A 6giqL-2pokA:
undetectable
6giqP-2pokA:
undetectable
6giqT-2pokA:
undetectable		 6giqL-2pokA:
24.41
6giqP-2pokA:
17.93
6giqT-2pokA:
9.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		4 ASP A 294
TYR A 318
GLY A 268
VAL A 148
 None
 0.95A 6giqL-2qa2A:
undetectable
6giqP-2qa2A:
undetectable
6giqT-2qa2A:
undetectable		 6giqL-2qa2A:
22.08
6giqP-2qa2A:
17.99
6giqT-2qa2A:
9.22
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.
2qzw CANDIDAPEPSIN-1

(Candida
albicans) 		PF00026
(Asp) 		4 ASP A 323
TYR A 128
GLY A 125
ASN A 153
 None
 1.08A 6giqL-2qzwA:
undetectable
6giqP-2qzwA:
undetectable
6giqT-2qzwA:
undetectable		 6giqL-2qzwA:
24.78
6giqP-2qzwA:
20.12
6giqT-2qzwA:
13.93
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		4 ASP A 187
TYR A 464
GLY A  91
ASN A 180
 None
 0.85A 6giqL-2rghA:
undetectable
6giqP-2rghA:
undetectable
6giqT-2rghA:
undetectable		 6giqL-2rghA:
21.42
6giqP-2rghA:
15.71
6giqT-2rghA:
9.47
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		4 MET X 140
GLY X 130
SER X 122
VAL X 135
 HEM  X 200 (-3.6A)
None
None
None
 1.10A 6giqL-2uydX:
undetectable
6giqP-2uydX:
undetectable
6giqT-2uydX:
undetectable		 6giqL-2uydX:
18.91
6giqP-2uydX:
24.03
6giqT-2uydX:
16.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		4 TYR A 496
GLY A 553
SER A 583
VAL A 452
 None
 0.87A 6giqL-2vdaA:
undetectable
6giqP-2vdaA:
undetectable
6giqT-2vdaA:
undetectable		 6giqL-2vdaA:
20.79
6giqP-2vdaA:
12.97
6giqT-2vdaA:
7.28
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.
2vn1 70 KDA
PEPTIDYLPROLYL
ISOMERASE

(Plasmodium
falciparum) 		PF00254
(FKBP_C) 		4 ASP A  56
TYR A  44
SER A  84
VAL A  93
 FK5  A 501 (-3.4A)
FK5  A 501 (-4.1A)
None
None
 0.92A 6giqL-2vn1A:
undetectable
6giqP-2vn1A:
undetectable
6giqT-2vn1A:
undetectable		 6giqL-2vn1A:
15.23
6giqP-2vn1A:
21.80
6giqT-2vn1A:
19.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		4 ASP A  92
SER A 831
TYR A 243
GLY A 351
 None
 0.84A 6giqL-2vz9A:
undetectable
6giqP-2vz9A:
undetectable
6giqT-2vz9A:
undetectable		 6giqL-2vz9A:
11.12
6giqP-2vz9A:
6.45
6giqT-2vz9A:
2.26
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 TYR A 376
GLY A 397
SER A 386
VAL A 409
 None
 0.97A 6giqL-2wnwA:
undetectable
6giqP-2wnwA:
undetectable
6giqT-2wnwA:
undetectable		 6giqL-2wnwA:
24.36
6giqP-2wnwA:
18.58
6giqT-2wnwA:
9.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		4 ASP A 343
MET A  53
TYR A  92
ASN A  54
 None
 0.71A 6giqL-2wzsA:
undetectable
6giqP-2wzsA:
undetectable
6giqT-2wzsA:
undetectable		 6giqL-2wzsA:
21.60
6giqP-2wzsA:
15.41
6giqT-2wzsA:
6.73
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.
2x12 FIMBRIAE-ASSOCIATED
PROTEIN FAP1

(Streptococcus
parasanguinis) 		no annotation 4 ASP A 414
SER A 415
TYR A 336
GLY A 342
 None
 1.10A 6giqL-2x12A:
undetectable
6giqP-2x12A:
undetectable
6giqT-2x12A:
undetectable		 6giqL-2x12A:
22.43
6giqP-2x12A:
21.74
6giqT-2x12A:
11.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b7f GLYCOSYL HYDROLASE,
BNR REPEAT

(Cupriavidus
pinatubonensis) 		no annotation 4 ASP A  38
SER A  37
GLY A 371
VAL A 353
 EDO  A 408 ( 4.9A)
None
None
None
 0.96A 6giqL-3b7fA:
undetectable
6giqP-3b7fA:
undetectable
6giqT-3b7fA:
undetectable		 6giqL-3b7fA:
21.50
6giqP-3b7fA:
19.35
6giqT-3b7fA:
11.08
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.
3be7 ZN-DEPENDENT
ARGININE
CARBOXYPEPTIDASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 ASP A  69
GLY A 313
SER A 263
VAL A 105
 GOL  A 502 (-2.8A)
None
None
None
 1.05A 6giqL-3be7A:
undetectable
6giqP-3be7A:
undetectable
6giqT-3be7A:
undetectable		 6giqL-3be7A:
22.48
6giqP-3be7A:
19.90
6giqT-3be7A:
11.17
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.
3brk GLUCOSE-1-PHOSPHATE
ADENYLYLTRANSFERASE

(Agrobacterium
tumefaciens) 		PF00483
(NTP_transferase) 		4 SER X  98
TYR X  16
GLY X 207
SER X 205
 None
 1.03A 6giqL-3brkX:
undetectable
6giqP-3brkX:
undetectable
6giqT-3brkX:
undetectable		 6giqL-3brkX:
23.95
6giqP-3brkX:
19.08
6giqT-3brkX:
10.48
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ASP A 250
SER A 246
GLY A   7
ASN A  98
 None
 0.96A 6giqL-3egoA:
undetectable
6giqP-3egoA:
undetectable
6giqT-3egoA:
undetectable		 6giqL-3egoA:
20.57
6giqP-3egoA:
22.19
6giqT-3egoA:
12.63
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		4 ASP A 220
TYR A 317
GLY A 300
VAL A 165
 None
 1.05A 6giqL-3fedA:
1.1
6giqP-3fedA:
undetectable
6giqT-3fedA:
undetectable		 6giqL-3fedA:
21.47
6giqP-3fedA:
14.43
6giqT-3fedA:
6.41
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.
3fip OUTER MEMBRANE USHER
PROTEIN PAPC

(Escherichia
coli) 		PF00577
(Usher) 		4 SER A 624
GLY A 568
SER A 553
ASN A 271
 None
 1.09A 6giqL-3fipA:
undetectable
6giqP-3fipA:
undetectable
6giqT-3fipA:
undetectable		 6giqL-3fipA:
22.98
6giqP-3fipA:
18.66
6giqT-3fipA:
9.18
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.
3fvv UNCHARACTERIZED
PROTEIN

(Bordetella
pertussis) 		PF12710
(HAD) 		4 ASP A  19
SER A  20
GLY A 159
VAL A 114
 None
 1.11A 6giqL-3fvvA:
undetectable
6giqP-3fvvA:
undetectable
6giqT-3fvvA:
undetectable		 6giqL-3fvvA:
19.83
6giqP-3fvvA:
23.75
6giqT-3fvvA:
15.35
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.
3hhd FATTY ACID SYNTHASE

(Homo sapiens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ASP A  92
SER A 831
TYR A 243
GLY A 351
 None
 0.91A 6giqL-3hhdA:
undetectable
6giqP-3hhdA:
undetectable
6giqT-3hhdA:
undetectable		 6giqL-3hhdA:
19.65
6giqP-3hhdA:
13.38
6giqT-3hhdA:
5.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i9f PUTATIVE TYPE 11
METHYLTRANSFERASE

(Sulfolobus
solfataricus) 		PF08241
(Methyltransf_11) 		4 SER A  89
TYR A  57
GLY A  39
SER A  98
 None
 1.03A 6giqL-3i9fA:
undetectable
6giqP-3i9fA:
undetectable
6giqT-3i9fA:
undetectable		 6giqL-3i9fA:
16.02
6giqP-3i9fA:
21.88
6giqT-3i9fA:
19.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		4 ASP A2105
SER A1889
GLY A1895
SER A1854
 None
 1.05A 6giqL-3ilsA:
undetectable
6giqP-3ilsA:
undetectable
6giqT-3ilsA:
undetectable		 6giqL-3ilsA:
20.04
6giqP-3ilsA:
22.35
6giqT-3ilsA:
15.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3inp D-RIBULOSE-PHOSPHATE
3-EPIMERASE

(Francisella
tularensis) 		PF00834
(Ribul_P_3_epim) 		4 ASP A  21
GLY A 179
SER A 140
VAL A 197
 None
SO4  A 226 (-3.8A)
None
None
 0.98A 6giqL-3inpA:
undetectable
6giqP-3inpA:
undetectable
6giqT-3inpA:
undetectable		 6giqL-3inpA:
19.96
6giqP-3inpA:
22.81
6giqT-3inpA:
14.29
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 ASP W 490
SER W 486
TYR W 518
GLY W 561
 None
 1.02A 6giqL-3iylW:
undetectable
6giqP-3iylW:
undetectable
6giqT-3iylW:
undetectable		 6giqL-3iylW:
16.32
6giqP-3iylW:
10.51
6giqT-3iylW:
3.77
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.
3lfu DNA HELICASE II

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		4 ASP A 270
TYR A 230
GLY A 258
VAL A 261
 None
 1.02A 6giqL-3lfuA:
undetectable
6giqP-3lfuA:
undetectable
6giqT-3lfuA:
undetectable		 6giqL-3lfuA:
22.64
6giqP-3lfuA:
14.72
6giqT-3lfuA:
8.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lyx SENSORY BOX/GGDEF
DOMAIN PROTEIN

(Colwellia
psychrerythraea) 		PF08447
(PAS_3) 		4 SER A  96
TYR A  40
GLY A  89
VAL A  57
 None
 1.07A 6giqL-3lyxA:
undetectable
6giqP-3lyxA:
undetectable
6giqT-3lyxA:
undetectable		 6giqL-3lyxA:
13.86
6giqP-3lyxA:
18.39
6giqT-3lyxA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3myw BOWMAN-BIRK TYPE
TRYPSIN INHIBITOR

(Vigna radiata) 		PF00228
(Bowman-Birk_leg) 		4 ASP I  14
SER I  15
GLY I  51
SER I  48
 None
 0.95A 6giqL-3mywI:
undetectable
6giqP-3mywI:
undetectable
6giqT-3mywI:
undetectable		 6giqL-3mywI:
11.56
6giqP-3mywI:
16.67
6giqT-3mywI:
16.67
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.
3n9v TYPE II
INOSITOL-1,4,5-TRISP
HOSPHATE
5-PHOSPHATASE

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 524
GLY A 378
ASN A 398
VAL A 383
 None
 0.98A 6giqL-3n9vA:
undetectable
6giqP-3n9vA:
undetectable
6giqT-3n9vA:
undetectable		 6giqL-3n9vA:
21.47
6giqP-3n9vA:
22.40
6giqT-3n9vA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		4 ASP L 279
TYR L 123
ASN L 272
VAL L 115
 None
 1.01A 6giqL-3rgwL:
undetectable
6giqP-3rgwL:
undetectable
6giqT-3rgwL:
undetectable		 6giqL-3rgwL:
21.83
6giqP-3rgwL:
16.17
6giqT-3rgwL:
7.12
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.
3ty7 PUTATIVE ALDEHYDE
DEHYDROGENASE
SAV2122

(Staphylococcus
aureus) 		PF00171
(Aldedh) 		4 GLY A 248
SER A 250
ASN A 147
VAL A 278
 None
 1.01A 6giqL-3ty7A:
undetectable
6giqP-3ty7A:
undetectable
6giqT-3ty7A:
undetectable		 6giqL-3ty7A:
22.94
6giqP-3ty7A:
18.45
6giqT-3ty7A:
9.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		4 ASP A 149
SER A 147
TYR A  61
ASN A 123
 None
 1.12A 6giqL-3umbA:
undetectable
6giqP-3umbA:
undetectable
6giqT-3umbA:
undetectable		 6giqL-3umbA:
21.48
6giqP-3umbA:
22.41
6giqT-3umbA:
13.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3vpi TYPE VI SECRETION
EXPORTED 1

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 136
TYR A 105
GLY A  98
VAL A  95
 None
 1.09A 6giqL-3vpiA:
undetectable
6giqP-3vpiA:
undetectable
6giqT-3vpiA:
undetectable		 6giqL-3vpiA:
15.94
6giqP-3vpiA:
21.62
6giqT-3vpiA:
15.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 ASP A 227
GLY A 235
SER A 239
VAL A  16
 None
 1.01A 6giqL-3wsvA:
2.0
6giqP-3wsvA:
undetectable
6giqT-3wsvA:
undetectable		 6giqL-3wsvA:
21.12
6giqP-3wsvA:
21.50
6giqT-3wsvA:
12.28
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.
3zqj UVRABC SYSTEM
PROTEIN A

(Mycobacterium
tuberculosis) 		PF00005
(ABC_tran) 		4 GLY A  32
SER A  36
ASN A 597
VAL A 586
 None
 1.07A 6giqL-3zqjA:
undetectable
6giqP-3zqjA:
undetectable
6giqT-3zqjA:
undetectable		 6giqL-3zqjA:
18.56
6giqP-3zqjA:
13.53
6giqT-3zqjA:
4.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zuo COMPLEMENT INHIBITOR

(Ornithodoros
moubata) 		no annotation 4 SER A  84
MET A  74
GLY A  39
SER A  37
 None
LTB  A1170 (-4.5A)
LTB  A1170 (-3.6A)
None
 1.10A 6giqL-3zuoA:
undetectable
6giqP-3zuoA:
undetectable
6giqT-3zuoA:
undetectable		 6giqL-3zuoA:
15.70
6giqP-3zuoA:
20.28
6giqT-3zuoA:
18.00
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.
4a0h ADENOSYLMETHIONINE-8
-AMINO-7-OXONONANOAT
E AMINOTRANSFERASE

(Arabidopsis
thaliana) 		PF00202
(Aminotran_3)
PF13500
(AAA_26) 		4 SER A 143
GLY A 112
SER A 109
VAL A 155
 None
 1.07A 6giqL-4a0hA:
undetectable
6giqP-4a0hA:
undetectable
6giqT-4a0hA:
undetectable		 6giqL-4a0hA:
20.21
6giqP-4a0hA:
14.39
6giqT-4a0hA:
7.03
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.
4bem F1FO ATPASE C1
SUBUNIT

(Acetobacterium
woodii) 		PF00137
(ATP-synt_C) 		4 MET J 154
TYR J 131
GLY J 126
SER J  81
 None
 1.12A 6giqL-4bemJ:
undetectable
6giqP-4bemJ:
undetectable
6giqT-4bemJ:
undetectable		 6giqL-4bemJ:
17.47
6giqP-4bemJ:
22.57
6giqT-4bemJ:
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.
4cmn INOSITOL
POLYPHOSPHATE
5-PHOSPHATASE OCRL-1

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 499
GLY A 353
ASN A 373
VAL A 358
 None
 1.08A 6giqL-4cmnA:
undetectable
6giqP-4cmnA:
undetectable
6giqT-4cmnA:
undetectable		 6giqL-4cmnA:
21.75
6giqP-4cmnA:
20.83
6giqT-4cmnA:
11.59
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.
4e37 CATALASE

(Pseudomonas
aeruginosa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ASP A 179
TYR A 134
SER A 337
ASN A 128
 None
None
HEM  A 500 (-3.5A)
HEM  A 500 (-3.1A)
 1.00A 6giqL-4e37A:
undetectable
6giqP-4e37A:
undetectable
6giqT-4e37A:
undetectable		 6giqL-4e37A:
22.03
6giqP-4e37A:
17.22
6giqT-4e37A:
10.12
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.
4eqa PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 4 ASP A 136
TYR A 105
GLY A  98
VAL A  95
 None
 1.06A 6giqL-4eqaA:
undetectable
6giqP-4eqaA:
undetectable
6giqT-4eqaA:
undetectable		 6giqL-4eqaA:
17.07
6giqP-4eqaA:
23.58
6giqT-4eqaA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		4 GLY A 263
SER A 265
ASN A 162
VAL A 294
 None
None
NAD  A 601 (-3.3A)
None
 0.93A 6giqL-4i8qA:
undetectable
6giqP-4i8qA:
undetectable
6giqT-4i8qA:
undetectable		 6giqL-4i8qA:
21.85
6giqP-4i8qA:
17.67
6giqT-4i8qA:
7.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j75 TRYPTOPHANYL-TRNA
SYNTHETASE

(Plasmodium
falciparum) 		PF00579
(tRNA-synt_1b) 		4 SER A 313
MET A 316
GLY A 453
SER A 480
 None
None
TYM  A 701 (-2.9A)
TYM  A 701 ( 4.5A)
 0.91A 6giqL-4j75A:
undetectable
6giqP-4j75A:
undetectable
6giqT-4j75A:
undetectable		 6giqL-4j75A:
21.91
6giqP-4j75A:
20.05
6giqT-4j75A:
10.00
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.
4jrm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Vibrio cholerae) 		no annotation 4 SER D  23
GLY D 233
SER D 195
ASN D  19
 None
 0.99A 6giqL-4jrmD:
undetectable
6giqP-4jrmD:
undetectable
6giqT-4jrmD:
undetectable		 6giqL-4jrmD:
22.73
6giqP-4jrmD:
19.31
6giqT-4jrmD:
11.44
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.
4k6m POLYPROTEIN

(Japanese
encephalitis
virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ASP A 297
SER A 310
GLY A 352
SER A 473
 None
 1.11A 6giqL-4k6mA:
undetectable
6giqP-4k6mA:
undetectable
6giqT-4k6mA:
undetectable		 6giqL-4k6mA:
19.50
6giqP-4k6mA:
12.57
6giqT-4k6mA:
6.46
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.
4n5q TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 3

(Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2) 		4 ASP A 293
SER A 294
TYR A 260
VAL A 248
 None
 1.12A 6giqL-4n5qA:
undetectable
6giqP-4n5qA:
undetectable
6giqT-4n5qA:
undetectable		 6giqL-4n5qA:
19.44
6giqP-4n5qA:
22.51
6giqT-4n5qA:
12.50
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.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		4 GLY A 278
SER A 280
ASN A 177
VAL A 308
 None
 0.96A 6giqL-4o5hA:
undetectable
6giqP-4o5hA:
undetectable
6giqT-4o5hA:
undetectable		 6giqL-4o5hA:
23.98
6giqP-4o5hA:
18.47
6giqT-4o5hA:
8.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o6q HASAP

(Pseudomonas
aeruginosa) 		PF06438
(HasA) 		4 MET A 141
GLY A 131
SER A 123
VAL A 136
 HEM  A 202 (-3.6A)
None
None
None
 0.93A 6giqL-4o6qA:
undetectable
6giqP-4o6qA:
undetectable
6giqT-4o6qA:
undetectable		 6giqL-4o6qA:
19.09
6giqP-4o6qA:
21.52
6giqT-4o6qA:
16.94
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.
4qb5 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Rhodoferax
ferrireducens) 		PF00903
(Glyoxalase) 		4 TYR A  40
GLY A  45
SER A   0
VAL A   5
 None
 1.08A 6giqL-4qb5A:
undetectable
6giqP-4qb5A:
undetectable
6giqT-4qb5A:
undetectable		 6giqL-4qb5A:
15.71
6giqP-4qb5A:
22.94
6giqT-4qb5A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		4 GLY A 270
SER A 272
ASN A 169
VAL A 300
 None
 1.01A 6giqL-4qyjA:
undetectable
6giqP-4qyjA:
undetectable
6giqT-4qyjA:
undetectable		 6giqL-4qyjA:
22.73
6giqP-4qyjA:
19.19
6giqT-4qyjA:
8.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tkx LYS-GINGIPAIN W83

(Porphyromonas
gingivalis) 		PF01364
(Peptidase_C25)
PF03785
(Peptidase_C25_C) 		4 ASP L 236
GLY L 640
SER L 651
ASN L 239
 None
None
None
EDO  L 717 ( 3.0A)
 1.06A 6giqL-4tkxL:
undetectable
6giqP-4tkxL:
undetectable
6giqT-4tkxL:
undetectable		 6giqL-4tkxL:
23.78
6giqP-4tkxL:
18.89
6giqT-4tkxL:
9.29
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.
5csl ACETYL-COA
CARBOXYLASE

(Saccharomyces
cerevisiae) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF01039
(Carboxyl_trans)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2)
PF08326
(ACC_central) 		4 ASP A1510
SER A1448
GLY A1476
SER A1471
 None
 1.01A 6giqL-5cslA:
undetectable
6giqP-5cslA:
undetectable
6giqT-5cslA:
undetectable		 6giqL-5cslA:
12.63
6giqP-5cslA:
7.34
6giqT-5cslA:
3.44
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.
5dmx D-ALANINE--D-ALANINE
LIGASE

(Acinetobacter
baumannii) 		PF01820
(Dala_Dala_lig_N)
PF07478
(Dala_Dala_lig_C) 		4 ASP A  33
GLY A  16
SER A  18
VAL A  23
 None
 1.02A 6giqL-5dmxA:
undetectable
6giqP-5dmxA:
undetectable
6giqT-5dmxA:
undetectable		 6giqL-5dmxA:
22.15
6giqP-5dmxA:
21.20
6giqT-5dmxA:
12.50
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 ASP A  67
SER A  69
SER A 390
ASN A 159
 None
 1.09A 6giqL-5dmyA:
undetectable
6giqP-5dmyA:
undetectable
6giqT-5dmyA:
undetectable		 6giqL-5dmyA:
22.00
6giqP-5dmyA:
12.92
6giqT-5dmyA:
6.80
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.
5eow 6-HYDROXYNICOTINATE
3-MONOOXYGENASE

(Pseudomonas
putida) 		PF01494
(FAD_binding_3) 		4 ASP A 313
TYR A 336
GLY A 287
VAL A 155
 None
 0.90A 6giqL-5eowA:
undetectable
6giqP-5eowA:
undetectable
6giqT-5eowA:
undetectable		 6giqL-5eowA:
21.01
6giqP-5eowA:
19.51
6giqT-5eowA:
11.00
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.
5foi MYCINAMICIN VIII C21
METHYL HYDROXYLASE

(Micromonospora
griseorubida) 		PF00067
(p450) 		4 ASP A 195
GLY A 228
SER A 232
VAL A 142
 None
HEM  A 413 (-3.5A)
HEM  A 413 (-3.6A)
None
 0.81A 6giqL-5foiA:
undetectable
6giqP-5foiA:
undetectable
6giqT-5foiA:
undetectable		 6giqL-5foiA:
23.52
6giqP-5foiA:
19.80
6giqT-5foiA:
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		4 ASP F 287
GLY F 537
ASN F 316
VAL F 319
 None
 0.84A 6giqL-5gjwF:
undetectable
6giqP-5gjwF:
undetectable
6giqT-5gjwF:
undetectable		 6giqL-5gjwF:
17.48
6giqP-5gjwF:
11.93
6giqT-5gjwF:
5.10
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.
5h0u MATRIX
METALLOPROTEINASE-14

(Homo sapiens) 		PF00413
(Peptidase_M10) 		4 ASP A 188
SER A 189
TYR A 203
GLY A 116
 ZN  A 303 (-2.5A)
None
None
None
 1.11A 6giqL-5h0uA:
undetectable
6giqP-5h0uA:
undetectable
6giqT-5h0uA:
undetectable		 6giqL-5h0uA:
17.87
6giqP-5h0uA:
22.17
6giqT-5h0uA:
17.39
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 4 GLY A 270
SER A 272
ASN A 168
VAL A 301
 None
None
NAD  A 700 ( 3.0A)
IAC  A 701 ( 4.1A)
 0.94A 6giqL-5iuwA:
undetectable
6giqP-5iuwA:
undetectable
6giqT-5iuwA:
undetectable		 6giqL-5iuwA:
23.67
6giqP-5iuwA:
17.69
6giqT-5iuwA:
8.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 4 MET A 173
GLY A 270
SER A 272
VAL A 301
 NAD  A 700 (-3.9A)
None
None
IAC  A 701 ( 4.1A)
 1.08A 6giqL-5iuwA:
undetectable
6giqP-5iuwA:
undetectable
6giqT-5iuwA:
undetectable		 6giqL-5iuwA:
23.67
6giqP-5iuwA:
17.69
6giqT-5iuwA:
8.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k0y EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT G
EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT I

(Homo sapiens;
Oryctolagus
cuniculus) 		PF12353
(eIF3g)
PF00400
(WD40) 		4 ASP T  73
SER T  71
GLY M 106
SER M 108
 None
 0.59A 6giqL-5k0yT:
undetectable
6giqP-5k0yT:
undetectable
6giqT-5k0yT:
undetectable		 6giqL-5k0yT:
21.79
6giqP-5k0yT:
21.08
6giqT-5k0yT:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		4 ASP A 306
MET A 222
TYR A 473
VAL A 196
 TFB  A2003 ( 3.5A)
None
TFB  A2003 ( 3.6A)
None
 1.06A 6giqL-5kf7A:
undetectable
6giqP-5kf7A:
undetectable
6giqT-5kf7A:
undetectable		 6giqL-5kf7A:
17.71
6giqP-5kf7A:
11.08
6giqT-5kf7A:
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.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		4 SER A 264
TYR A 393
GLY A 396
VAL A 296
 None
 1.01A 6giqL-5kyoA:
undetectable
6giqP-5kyoA:
undetectable
6giqT-5kyoA:
undetectable		 6giqL-5kyoA:
23.61
6giqP-5kyoA:
19.34
6giqT-5kyoA:
8.88
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.
5my0 FATTY ACID SYNTHASE

(Mus musculus) 		no annotation 4 ASP B  92
SER B 831
TYR B 243
GLY B 351
 None
 0.88A 6giqL-5my0B:
undetectable
6giqP-5my0B:
undetectable
6giqT-5my0B:
undetectable		 6giqL-5my0B:
undetectable
6giqP-5my0B:
undetectable
6giqT-5my0B:
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.
5n1t FLAVIN-BINDING
SUBUNIT OF SULFIDE
DEHYDROGENASE
CYTOCHROME C

(Thioalkalivibrio
paradoxus;
Thioalkalivibrio
paradoxus) 		no annotation
no annotation 		4 SER B  50
MET B  53
SER A 337
VAL A 379
 HEC  B 901 (-4.3A)
HEC  B 901 (-2.2A)
None
None
 0.96A 6giqL-5n1tB:
undetectable
6giqP-5n1tB:
undetectable
6giqT-5n1tB:
undetectable		 6giqL-5n1tB:
12.76
6giqP-5n1tB:
18.93
6giqT-5n1tB:
20.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 4 ASP A 204
TYR A 180
GLY A 215
VAL A 218
 None
GLC  A1507 (-3.8A)
None
None
 0.98A 6giqL-5ngyA:
undetectable
6giqP-5ngyA:
undetectable
6giqT-5ngyA:
undetectable		 6giqL-5ngyA:
17.24
6giqP-5ngyA:
10.84
6giqT-5ngyA:
4.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tmh POLYPROTEIN

(Zika virus) 		PF00972
(Flavi_NS5)
PF01728
(FtsJ) 		4 ASP A 296
SER A 309
GLY A 351
SER A 472
 None
 0.97A 6giqL-5tmhA:
undetectable
6giqP-5tmhA:
undetectable
6giqT-5tmhA:
undetectable		 6giqL-5tmhA:
19.65
6giqP-5tmhA:
13.49
6giqT-5tmhA:
6.04
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 ASP A 490
GLY A 811
ASN A 706
VAL A 332
 None
 1.08A 6giqL-5tr0A:
undetectable
6giqP-5tr0A:
undetectable
6giqT-5tr0A:
undetectable		 6giqL-5tr0A:
21.47
6giqP-5tr0A:
13.37
6giqT-5tr0A:
5.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uhe DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA'

(Mycobacterium
tuberculosis) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ASP D 795
GLY D 819
SER D 839
VAL D 736
 None
 0.81A 6giqL-5uheD:
undetectable
6giqP-5uheD:
undetectable
6giqT-5uheD:
undetectable		 6giqL-5uheD:
15.27
6giqP-5uheD:
10.76
6giqT-5uheD:
3.88
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.
5ul4 OXSB PROTEIN

(Bacillus
megaterium) 		PF02310
(B12-binding) 		4 SER A 553
MET A 548
SER A 265
ASN A 549
 None
 0.88A 6giqL-5ul4A:
undetectable
6giqP-5ul4A:
undetectable
6giqT-5ul4A:
undetectable		 6giqL-5ul4A:
20.75
6giqP-5ul4A:
14.16
6giqT-5ul4A:
6.42
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.
5upb ACETOACETATE
DECARBOXYLASE

(Sphingomonas
wittichii) 		PF06314
(ADC) 		4 ASP A  18
TYR A  22
GLY A  25
VAL A  81
 None
 1.11A 6giqL-5upbA:
undetectable
6giqP-5upbA:
undetectable
6giqT-5upbA:
undetectable		 6giqL-5upbA:
20.18
6giqP-5upbA:
23.64
6giqT-5upbA:
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.
5uuo GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN

(Novosphingobium
aromaticivorans) 		no annotation 4 ASP B 252
TYR B 217
GLY B  59
SER B  53
 None
 1.10A 6giqL-5uuoB:
undetectable
6giqP-5uuoB:
undetectable
6giqT-5uuoB:
undetectable		 6giqL-5uuoB:
undetectable
6giqP-5uuoB:
undetectable
6giqT-5uuoB:
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.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		4 SER B2585
GLY B2669
SER B2665
VAL B2672
 None
 1.06A 6giqL-5v4bB:
undetectable
6giqP-5v4bB:
undetectable
6giqT-5v4bB:
undetectable		 6giqL-5v4bB:
22.52
6giqP-5v4bB:
19.14
6giqT-5v4bB:
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.
6avh GH3.15 ACYL ACID
AMIDO SYNTHETASE

(Arabidopsis
thaliana) 		no annotation 4 ASP A 443
GLY A 476
SER A 473
VAL A 479
 None
 1.06A 6giqL-6avhA:
undetectable
6giqP-6avhA:
undetectable
6giqT-6avhA:
undetectable		 6giqL-6avhA:
undetectable
6giqP-6avhA:
undetectable
6giqT-6avhA:
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 4 ASP A 221
SER A 220
TYR A 239
GLY A 309
 None
 0.83A 6giqL-6eomA:
undetectable
6giqP-6eomA:
undetectable
6giqT-6eomA:
undetectable		 6giqL-6eomA:
undetectable
6giqP-6eomA:
undetectable
6giqT-6eomA:
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 4 SER A1093
TYR A1643
GLY A1905
ASN A1662
 None
 1.07A 6giqL-6fb3A:
undetectable
6giqP-6fb3A:
undetectable
6giqT-6fb3A:
undetectable		 6giqL-6fb3A:
undetectable
6giqP-6fb3A:
undetectable
6giqT-6fb3A:
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.
6frl TRYPTOPHAN
HALOGENASE
SUPERFAMILY

(Brevundimonas
sp. BAL3) 		no annotation 4 ASP A 208
GLY A 223
SER A 341
VAL A  15
 None
TLA  A 601 (-3.3A)
None
None
 1.11A 6giqL-6frlA:
undetectable
6giqP-6frlA:
undetectable
6giqT-6frlA:
undetectable		 6giqL-6frlA:
undetectable
6giqP-6frlA:
undetectable
6giqT-6frlA:
undetectable