SIMILAR PATTERNS OF AMINO ACIDS FOR 2QL8_B_BEZB143

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.
1at3 HERPES SIMPLEX VIRUS
TYPE II PROTEASE

(Human
alphaherpesvirus
2) 		PF00716
(Peptidase_S21) 		4 ARG A  64
THR A 212
ALA A 208
ARG A  62
 None
 1.23A 2ql8A-1at3A:
0.1
2ql8B-1at3A:
0.0		 2ql8A-1at3A:
20.80
2ql8B-1at3A:
20.80
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.
1ccv CHYMOTRYPSIN
INHIBITOR

(Apis mellifera) 		PF01826
(TIL) 		4 ARG A  33
THR A  19
ALA A  17
ARG A  44
 None
 1.37A 2ql8A-1ccvA:
undetectable
2ql8B-1ccvA:
undetectable		 2ql8A-1ccvA:
21.62
2ql8B-1ccvA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fim MACROPHAGE MIGRATION
INHIBITORY FACTOR

(Rattus
norvegicus) 		PF01187
(MIF) 		4 ARG A  93
THR A   7
ALA A  57
PRO A  10
 None
 1.34A 2ql8A-1fimA:
2.1
2ql8B-1fimA:
undetectable		 2ql8A-1fimA:
18.31
2ql8B-1fimA:
18.31
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.
1hkh GAMMA LACTAMASE

(Microbacterium) 		PF00561
(Abhydrolase_1) 		4 ARG A  59
TYR A  56
THR A  82
ALA A  78
 None
 1.43A 2ql8A-1hkhA:
0.0
2ql8B-1hkhA:
0.0		 2ql8A-1hkhA:
23.05
2ql8B-1hkhA:
23.05
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.
1oij PUTATIVE
ALKYLSULFATASE ATSK

(Pseudomonas
putida) 		PF02668
(TauD) 		4 ARG C 260
TYR C 117
THR C 262
ALA C 261
 None
 1.33A 2ql8A-1oijC:
0.0
2ql8B-1oijC:
0.0		 2ql8A-1oijC:
17.82
2ql8B-1oijC:
17.82
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.
1p3w CYSTEINE DESULFURASE

(Escherichia
coli) 		no annotation 4 ARG B  18
ALA B 255
ARG B 359
PRO B  14
 None
 1.41A 2ql8A-1p3wB:
0.4
2ql8B-1p3wB:
0.0		 2ql8A-1p3wB:
17.47
2ql8B-1p3wB:
17.47
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.
1pcg ESTROGEN RECEPTOR

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ARG A 352
THR A 347
ALA A 350
PRO A 535
 None
None
EST  A   1 ( 3.7A)
None
 1.44A 2ql8A-1pcgA:
undetectable
2ql8B-1pcgA:
0.0		 2ql8A-1pcgA:
20.33
2ql8B-1pcgA:
20.33
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ARG A 122
THR A 115
ALA A 118
PRO A  24
 None
 1.28A 2ql8A-1rp1A:
0.0
2ql8B-1rp1A:
0.0		 2ql8A-1rp1A:
15.61
2ql8B-1rp1A:
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.
1s9k NUCLEAR FACTOR OF
ACTIVATED T-CELLS,
CYTOPLASMIC 2

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 ARG C 541
TYR C 474
THR C 462
ALA C 463
 None
 1.43A 2ql8A-1s9kC:
0.0
2ql8B-1s9kC:
0.0		 2ql8A-1s9kC:
19.64
2ql8B-1s9kC:
19.64
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.
1vh2 S-RIBOSYLHOMOCYSTEIN
ASE

(Deinococcus
radiodurans) 		PF02664
(LuxS) 		4 ARG A 137
THR A  58
ALA A 136
PRO A 118
 None
 1.36A 2ql8A-1vh2A:
2.7
2ql8B-1vh2A:
2.7		 2ql8A-1vh2A:
21.26
2ql8B-1vh2A:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vj0 ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Thermotoga
maritima) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A  96
THR A  99
ARG A 118
PRO A 112
 UNL  A2001 (-3.7A)
None
UNL  A2001 (-2.9A)
None
 1.45A 2ql8A-1vj0A:
undetectable
2ql8B-1vj0A:
undetectable		 2ql8A-1vj0A:
17.69
2ql8B-1vj0A:
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT

(Streptomyces
coelicolor) 		PF01039
(Carboxyl_trans) 		4 TYR A 296
THR A 439
ALA A 440
PRO A 289
 None
 1.40A 2ql8A-1xnyA:
undetectable
2ql8B-1xnyA:
undetectable		 2ql8A-1xnyA:
15.57
2ql8B-1xnyA:
15.57
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.
1y11 HYPOTHETICAL PROTEIN
RV1264/MT1302

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc)
PF16701
(Ad_Cy_reg) 		4 THR A 196
ALA A 198
ARG A 214
PRO A 272
 None
 0.95A 2ql8A-1y11A:
undetectable
2ql8B-1y11A:
2.5		 2ql8A-1y11A:
18.48
2ql8B-1y11A:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2aip PROTEIN C ACTIVATOR

(Agkistrodon
contortrix) 		PF00089
(Trypsin) 		4 ARG A  95
THR A 179
ALA A 177
PRO A 245
 None
 1.40A 2ql8A-2aipA:
undetectable
2ql8B-2aipA:
undetectable		 2ql8A-2aipA:
20.76
2ql8B-2aipA:
20.76
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.
2b4x ANTITHROMBIN-III

(Homo sapiens) 		PF00079
(Serpin) 		4 THR I  44
ALA I  43
ARG I 129
PRO I 416
 None
 1.39A 2ql8A-2b4xI:
undetectable
2ql8B-2b4xI:
undetectable		 2ql8A-2b4xI:
14.29
2ql8B-2b4xI:
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.
2fgy CARBOXYSOME SHELL
POLYPEPTIDE

(Halothiobacillus
neapolitanus) 		PF08936
(CsoSCA) 		4 TYR A 401
THR A 131
ALA A 134
PRO A 451
 None
 1.10A 2ql8A-2fgyA:
undetectable
2ql8B-2fgyA:
undetectable		 2ql8A-2fgyA:
14.00
2ql8B-2fgyA:
14.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2frv PERIPLASMIC
HYDROGENASE

(Desulfovibrio
gigas) 		no annotation 4 TYR L 325
ALA L 331
ARG L 353
PRO L 492
 None
 1.38A 2ql8A-2frvL:
undetectable
2ql8B-2frvL:
undetectable		 2ql8A-2frvL:
13.80
2ql8B-2frvL:
13.80
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.
2ggv NON-STRUCTURAL
PROTEIN 3

(West Nile virus) 		PF00949
(Peptidase_S7) 		4 ARG B  24
THR B 134
ALA B  38
PRO B 131
 None
 1.37A 2ql8A-2ggvB:
undetectable
2ql8B-2ggvB:
undetectable		 2ql8A-2ggvB:
20.77
2ql8B-2ggvB:
20.77
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ql8 PUTATIVE REDOX
PROTEIN

(Lactobacillus
paracasei) 		PF02566
(OsmC) 		4 THR A  62
ALA A  65
ARG A 119
PRO A 121
 BEZ  A 143 (-3.4A)
BEZ  A 143 (-3.6A)
BEZ  A 143 (-3.9A)
None
 0.15A 2ql8A-2ql8A:
24.6
2ql8B-2ql8A:
23.4		 2ql8A-2ql8A:
100.00
2ql8B-2ql8A:
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.
2r7d RIBONUCLEASE II
FAMILY PROTEIN

(Deinococcus
radiodurans) 		PF00773
(RNB) 		4 THR A 314
ALA A 310
ARG A 298
PRO A 296
 None
 1.13A 2ql8A-2r7dA:
undetectable
2ql8B-2r7dA:
undetectable		 2ql8A-2r7dA:
15.78
2ql8B-2r7dA:
15.78
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.
2x11 EPHRIN-A5

(Homo sapiens) 		PF00812
(Ephrin) 		4 TYR B  81
THR B  78
ARG B  80
PRO B  67
 None
 1.27A 2ql8A-2x11B:
undetectable
2ql8B-2x11B:
undetectable		 2ql8A-2x11B:
18.99
2ql8B-2x11B:
18.99
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.
2x1c ACYL-COENZYME

(Penicillium
chrysogenum) 		PF03417
(AAT) 		4 ARG A 302
THR A 104
ALA A 103
ARG A 268
 SO4  A1357 (-4.2A)
None
None
None
 1.20A 2ql8A-2x1cA:
undetectable
2ql8B-2x1cA:
undetectable		 2ql8A-2x1cA:
19.94
2ql8B-2x1cA:
19.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aeu LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT N

(Rhodobacter
capsulatus) 		PF00148
(Oxidored_nitro) 		4 ARG A 359
THR A 322
ALA A 346
PRO A 365
 None
 1.43A 2ql8A-3aeuA:
undetectable
2ql8B-3aeuA:
undetectable		 2ql8A-3aeuA:
18.66
2ql8B-3aeuA:
18.66
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.
3bf4 ETHYL TERT-BUTYL
ETHER DEGRADATION
ETHD PROTEIN

(Cupriavidus
pinatubonensis) 		PF07110
(EthD) 		4 TYR A  20
THR A  90
ALA A  87
ARG A  15
 None
 1.44A 2ql8A-3bf4A:
2.6
2ql8B-3bf4A:
2.5		 2ql8A-3bf4A:
25.16
2ql8B-3bf4A:
25.16
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.
3bzj UV ENDONUCLEASE

(Thermus
thermophilus) 		PF03851
(UvdE) 		4 ARG A  40
THR A  16
ALA A  15
ARG A  19
 None
 1.23A 2ql8A-3bzjA:
undetectable
2ql8B-3bzjA:
undetectable		 2ql8A-3bzjA:
19.38
2ql8B-3bzjA:
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.
3c3v ARACHIN ARAH3
ISOFORM

(Arachis
hypogaea) 		PF00190
(Cupin_1) 		4 ARG A 194
THR A 182
ALA A  88
PRO A  58
 None
 1.14A 2ql8A-3c3vA:
undetectable
2ql8B-3c3vA:
undetectable		 2ql8A-3c3vA:
14.01
2ql8B-3c3vA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cqf THIOL-ACTIVATED
CYTOLYSIN

(Bacillus
anthracis) 		PF01289
(Thiol_cytolysin)
PF17440
(Thiol_cytolys_C) 		4 ARG A 481
TYR A 415
THR A 507
ALA A 508
 None
 1.41A 2ql8A-3cqfA:
undetectable
2ql8B-3cqfA:
undetectable		 2ql8A-3cqfA:
17.69
2ql8B-3cqfA:
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.
3cv3 GLUCURONOSYLTRANSFER
ASE GUMK

(Xanthomonas
campestris) 		no annotation 4 TYR A 292
ALA A 302
ARG A 331
PRO A 321
 UDP  A1081 (-4.5A)
None
None
None
 1.30A 2ql8A-3cv3A:
undetectable
2ql8B-3cv3A:
undetectable		 2ql8A-3cv3A:
17.96
2ql8B-3cv3A:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dms ISOCITRATE
DEHYDROGENASE [NADP]

(Burkholderia
pseudomallei) 		PF00180
(Iso_dh) 		4 ARG A 397
TYR A 352
THR A 392
ALA A 396
 None
 1.14A 2ql8A-3dmsA:
undetectable
2ql8B-3dmsA:
2.2		 2ql8A-3dmsA:
14.75
2ql8B-3dmsA:
14.75
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		4 ARG A 430
THR A 354
ALA A 441
PRO A 361
 None
 1.42A 2ql8A-3f41A:
undetectable
2ql8B-3f41A:
undetectable		 2ql8A-3f41A:
13.40
2ql8B-3f41A:
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.
3fxq LYSR TYPE REGULATOR
OF TSAMBCD

(Comamonas
testosteroni) 		PF00126
(HTH_1)
PF03466
(LysR_substrate) 		4 TYR A 130
THR A 147
ALA A 145
PRO A 198
 None
None
None
CL  A4002 (-3.7A)
 1.34A 2ql8A-3fxqA:
undetectable
2ql8B-3fxqA:
undetectable		 2ql8A-3fxqA:
19.31
2ql8B-3fxqA:
19.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gpi NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Methylobacillus
flagellatus) 		PF13460
(NAD_binding_10) 		4 THR A 238
ALA A 237
ARG A 223
PRO A 217
 None
 1.35A 2ql8A-3gpiA:
undetectable
2ql8B-3gpiA:
undetectable		 2ql8A-3gpiA:
18.57
2ql8B-3gpiA:
18.57
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.
3h41 NLP/P60 FAMILY
PROTEIN

(Bacillus cereus) 		PF00877
(NLPC_P60) 		4 THR A  84
ALA A 229
ARG A 255
PRO A 119
 None
ALA  A 501 ( 3.8A)
ALA  A 501 ( 4.1A)
None
 1.02A 2ql8A-3h41A:
undetectable
2ql8B-3h41A:
undetectable		 2ql8A-3h41A:
18.51
2ql8B-3h41A:
18.51
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.
3i0p MALATE DEHYDROGENASE

(Entamoeba
histolytica) 		PF02615
(Ldh_2) 		4 ARG A 148
THR A 163
ALA A 147
PRO A 188
 None
NAD  A 401 (-3.9A)
NAD  A 401 ( 4.0A)
NAD  A 401 (-4.1A)
 1.31A 2ql8A-3i0pA:
undetectable
2ql8B-3i0pA:
undetectable		 2ql8A-3i0pA:
16.39
2ql8B-3i0pA:
16.39
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.
3jb9 PRE-MRNA-SPLICING
FACTOR CWF10
SMALL NUCLEAR
RIBONUCLEOPROTEIN SM
D3

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF03144
(GTP_EFTU_D2)
PF03764
(EFG_IV)
PF16004
(EFTUD2)
PF01423
(LSM) 		4 TYR B 126
THR B 209
ALA B 211
PRO D  79
 None
 1.40A 2ql8A-3jb9B:
2.4
2ql8B-3jb9B:
2.4		 2ql8A-3jb9B:
10.19
2ql8B-3jb9B:
10.19
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.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		4 TYR A 135
THR A  90
ALA A  89
PRO A  83
 LLP  A 190 ( 3.8A)
None
LLP  A 190 ( 3.3A)
None
 1.23A 2ql8A-3ju7A:
undetectable
2ql8B-3ju7A:
undetectable		 2ql8A-3ju7A:
15.30
2ql8B-3ju7A:
15.30
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.
3k6h NITROREDUCTASE
FAMILY PROTEIN

(Agrobacterium
fabrum) 		PF00881
(Nitroreductase) 		4 ARG A  16
THR A  19
ALA A 139
PRO A 177
 FMN  A 199 (-3.1A)
None
None
None
 1.37A 2ql8A-3k6hA:
2.7
2ql8B-3k6hA:
2.4		 2ql8A-3k6hA:
24.27
2ql8B-3k6hA:
24.27
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.
3kbr CYCLOHEXADIENYL
DEHYDRATASE

(Pseudomonas
aeruginosa) 		PF00497
(SBP_bac_3) 		4 ARG A 200
THR A 126
ALA A 199
PRO A 214
 None
None
None
FMT  A 265 (-4.1A)
 1.38A 2ql8A-3kbrA:
undetectable
2ql8B-3kbrA:
undetectable		 2ql8A-3kbrA:
20.50
2ql8B-3kbrA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l91 ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ
SUBUNIT BETA

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		4 TYR B 697
THR B 283
ALA B 281
PRO B 238
 None
None
None
OCA  B   1 (-4.0A)
 1.41A 2ql8A-3l91B:
undetectable
2ql8B-3l91B:
undetectable		 2ql8A-3l91B:
13.77
2ql8B-3l91B:
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.
3ld8 BIFUNCTIONAL
ARGININE DEMETHYLASE
AND
LYSYL-HYDROXYLASE
JMJD6

(Homo sapiens) 		PF02373
(JmjC) 		4 ARG A 169
THR A 193
ALA A 289
PRO A 190
 None
 1.33A 2ql8A-3ld8A:
undetectable
2ql8B-3ld8A:
undetectable		 2ql8A-3ld8A:
18.73
2ql8B-3ld8A:
18.73
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.
3mcz O-METHYLTRANSFERASE

(Burkholderia
thailandensis) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 ARG A 216
THR A 211
ALA A 215
PRO A 209
 None
 1.37A 2ql8A-3mczA:
undetectable
2ql8B-3mczA:
undetectable		 2ql8A-3mczA:
17.68
2ql8B-3mczA:
17.68
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.
3mwe ATP-CITRATE SYNTHASE

(Homo sapiens) 		PF16114
(Citrate_bind) 		4 TYR A 307
THR A 348
ALA A 345
PRO A 311
 None
TLA  A 427 (-3.7A)
TLA  A 427 (-3.6A)
None
 1.22A 2ql8A-3mweA:
undetectable
2ql8B-3mweA:
undetectable		 2ql8A-3mweA:
16.71
2ql8B-3mweA:
16.71
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.
3n6u LYSR TYPE REGULATOR
OF TSAMBCD

(Comamonas
testosteroni) 		PF03466
(LysR_substrate) 		4 TYR A 130
THR A 147
ALA A 145
PRO A 198
 None
None
None
ACT  A1006 (-3.7A)
 1.31A 2ql8A-3n6uA:
undetectable
2ql8B-3n6uA:
undetectable		 2ql8A-3n6uA:
19.91
2ql8B-3n6uA:
19.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nut PRECORRIN-3
METHYLASE

(Rhodobacter
capsulatus) 		PF00590
(TP_methylase) 		4 ARG A 189
THR A 239
ALA A 229
PRO A 126
 None
 1.36A 2ql8A-3nutA:
undetectable
2ql8B-3nutA:
undetectable		 2ql8A-3nutA:
21.01
2ql8B-3nutA:
21.01
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.
3pbk FATTY ACYL-ADENYLATE
LIGASE

(Escherichia
coli) 		PF00501
(AMP-binding) 		4 TYR A  96
THR A  22
ALA A  26
PRO A 173
 None
 1.23A 2ql8A-3pbkA:
4.0
2ql8B-3pbkA:
3.2		 2ql8A-3pbkA:
15.74
2ql8B-3pbkA:
15.74
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.
3rpw ABC TRANSPORTER

(Rhodopseudomonas
palustris) 		PF13416
(SBP_bac_8) 		4 TYR A 237
THR A 218
ALA A  67
PRO A 222
 GOL  A 364 (-4.2A)
None
GOL  A 363 (-3.9A)
None
 1.42A 2ql8A-3rpwA:
undetectable
2ql8B-3rpwA:
undetectable		 2ql8A-3rpwA:
18.66
2ql8B-3rpwA:
18.66
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.
3ru8 EPITOPE SCAFFOLD
2BODX43

(Thermobifida
fusca;
Human
immunodeficiency
virus;
synthetic
construct) 		PF01341
(Glyco_hydro_6) 		4 ARG X 162
THR X 124
ALA X 126
PRO X  75
 None
 1.23A 2ql8A-3ru8X:
undetectable
2ql8B-3ru8X:
undetectable		 2ql8A-3ru8X:
19.33
2ql8B-3ru8X:
19.33
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.
3s88 16F6 - HEAVY CHAIN
ENVELOPE
GLYCOPROTEIN

(Mus musculus;
Sudan
ebolavirus) 		PF07654
(C1-set)
PF07686
(V-set)
PF01611
(Filo_glycop) 		4 ARG H  98
TYR H 101
THR I  46
ALA H  28
 None
 1.45A 2ql8A-3s88H:
undetectable
2ql8B-3s88H:
undetectable		 2ql8A-3s88H:
21.40
2ql8B-3s88H:
21.40
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.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		4 ARG A 251
TYR A 107
THR A 253
ALA A 252
 None
 1.44A 2ql8A-3swtA:
undetectable
2ql8B-3swtA:
undetectable		 2ql8A-3swtA:
19.37
2ql8B-3swtA:
19.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tos CALS11

(Micromonospora
echinospora) 		PF05711
(TylF) 		4 ARG A  91
TYR A  63
THR A  86
ALA A  89
 None
 1.26A 2ql8A-3tosA:
undetectable
2ql8B-3tosA:
undetectable		 2ql8A-3tosA:
20.47
2ql8B-3tosA:
20.47
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.
3ze7 PERIPLASMIC [NIFESE]
HYDROGENASE, LARGE
SUBUNIT,
SELENOCYSTEINE-CONTA
INING

(Desulfovibrio
vulgaris) 		PF00374
(NiFeSe_Hases) 		4 ARG B 422
TYR B 114
THR B  80
ALA B  81
 FCO  B 500 (-4.2A)
None
H2S  B 503 (-4.1A)
H2S  B 503 (-3.5A)
 1.27A 2ql8A-3ze7B:
undetectable
2ql8B-3ze7B:
undetectable		 2ql8A-3ze7B:
18.18
2ql8B-3ze7B:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zz1 BETA-D-GLUCOSIDE
GLUCOHYDROLASE

(Trichoderma
reesei) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 TYR A 135
THR A 137
ALA A 140
PRO A 134
 None
 1.28A 2ql8A-3zz1A:
undetectable
2ql8B-3zz1A:
undetectable		 2ql8A-3zz1A:
12.01
2ql8B-3zz1A:
12.01
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.
4bn5 NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		4 ARG A 224
ALA A 241
ARG A 301
PRO A 299
 None
 1.35A 2ql8A-4bn5A:
undetectable
2ql8B-4bn5A:
undetectable		 2ql8A-4bn5A:
21.69
2ql8B-4bn5A:
21.69
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.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		4 ARG A 193
THR A 167
ALA A 170
PRO A 205
 None
 0.98A 2ql8A-4co6A:
undetectable
2ql8B-4co6A:
undetectable		 2ql8A-4co6A:
17.95
2ql8B-4co6A:
17.95
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.
4cvy DIOXYGENASE
RV3406/MT3514

(Mycobacterium
tuberculosis) 		PF02668
(TauD) 		4 ARG A 247
TYR A 106
THR A 249
ALA A 248
 None
 1.45A 2ql8A-4cvyA:
undetectable
2ql8B-4cvyA:
undetectable		 2ql8A-4cvyA:
20.00
2ql8B-4cvyA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dji PROBABLE
GLUTAMATE/GAMMA-AMIN
OBUTYRATE ANTIPORTER

(Escherichia
coli) 		PF13520
(AA_permease_2) 		4 TYR A 234
THR A  66
ALA A  65
PRO A 230
 None
 1.43A 2ql8A-4djiA:
undetectable
2ql8B-4djiA:
undetectable		 2ql8A-4djiA:
14.29
2ql8B-4djiA:
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.
4eb5 PROBABLE CYSTEINE
DESULFURASE 2

(Archaeoglobus
fulgidus) 		PF00266
(Aminotran_5) 		4 ARG A  15
ALA A 246
ARG A 352
PRO A  11
 None
 1.42A 2ql8A-4eb5A:
undetectable
2ql8B-4eb5A:
undetectable		 2ql8A-4eb5A:
16.75
2ql8B-4eb5A:
16.75
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.
4f8c CYCLE INHIBITING
FACTOR

(Yersinia
pseudotuberculosis) 		PF16374
(CIF) 		4 THR A 182
ALA A 181
ARG A 187
PRO A 185
 None
 1.32A 2ql8A-4f8cA:
undetectable
2ql8B-4f8cA:
undetectable		 2ql8A-4f8cA:
19.25
2ql8B-4f8cA:
19.25
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 4 ARG B 567
THR B 582
ALA B 532
PRO B 526
 None
 1.44A 2ql8A-4fdgB:
undetectable
2ql8B-4fdgB:
undetectable		 2ql8A-4fdgB:
12.39
2ql8B-4fdgB:
12.39
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.
4ghk GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE

(Burkholderia
thailandensis) 		PF00171
(Aldedh) 		4 ARG A 186
THR A 183
ALA A 184
ARG A 148
 None
 1.30A 2ql8A-4ghkA:
undetectable
2ql8B-4ghkA:
undetectable		 2ql8A-4ghkA:
14.02
2ql8B-4ghkA:
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.
4hbz PUTATIVE
PHOSPHOHISTIDINE
PHOSPHATASE, SIXA

(Nakamurella
multipartita) 		PF00300
(His_Phos_1) 		4 ARG A  36
TYR A  91
THR A  71
ALA A  69
 None
 1.26A 2ql8A-4hbzA:
undetectable
2ql8B-4hbzA:
undetectable		 2ql8A-4hbzA:
18.72
2ql8B-4hbzA:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4htg PORPHOBILINOGEN
DEAMINASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF01379
(Porphobil_deam)
PF03900
(Porphobil_deamC) 		4 THR A 236
ALA A 239
ARG A 112
PRO A 111
 None
 1.40A 2ql8A-4htgA:
undetectable
2ql8B-4htgA:
undetectable		 2ql8A-4htgA:
18.51
2ql8B-4htgA:
18.51
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Kitasatospora
aureofaciens;
Influenza A
virus) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		4 ARG A  59
TYR A  56
THR A  82
ALA A  78
 None
 1.45A 2ql8A-4iq4A:
undetectable
2ql8B-4iq4A:
undetectable		 2ql8A-4iq4A:
15.68
2ql8B-4iq4A:
15.68
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.
4kvx N-TERMINAL
ACETYLTRANSFERASE A
COMPLEX CATALYTIC
SUBUNIT ARD1

(Schizosaccharomyces
pombe) 		PF00583
(Acetyltransf_1) 		4 ARG A  90
THR A  46
ALA A  45
PRO A  48
 None
 1.30A 2ql8A-4kvxA:
undetectable
2ql8B-4kvxA:
undetectable		 2ql8A-4kvxA:
21.21
2ql8B-4kvxA:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 ARG A 840
THR A 752
ALA A 745
PRO A 749
 None
 1.42A 2ql8A-4mz0A:
undetectable
2ql8B-4mz0A:
undetectable		 2ql8A-4mz0A:
9.74
2ql8B-4mz0A:
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.
4qfk ABC TRANSPORTER
PERIPLASMIC
PEPTIDE-BINDING
PROTEIN

(Pseudoalteromonas
sp. SM9913) 		no annotation 4 TYR H 206
THR H 104
ALA H 105
PRO H 207
 None
 1.23A 2ql8A-4qfkH:
undetectable
2ql8B-4qfkH:
undetectable		 2ql8A-4qfkH:
14.97
2ql8B-4qfkH:
14.97
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.
4qpp PROTEIN ARGININE
N-METHYLTRANSFERASE
6

(Homo sapiens) 		PF13649
(Methyltransf_25) 		4 ARG A 204
THR A 227
ALA A 226
PRO A 328
 None
 1.39A 2ql8A-4qppA:
undetectable
2ql8B-4qppA:
undetectable		 2ql8A-4qppA:
17.94
2ql8B-4qppA:
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.
4r85 CYTOSINE DEAMINASE

(Klebsiella
pneumoniae) 		PF07969
(Amidohydro_3) 		4 ARG A  86
THR A  62
ALA A  61
ARG A  98
 None
 1.05A 2ql8A-4r85A:
undetectable
2ql8B-4r85A:
undetectable		 2ql8A-4r85A:
15.79
2ql8B-4r85A:
15.79
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.
4u9o NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT A

(Vibrio cholerae) 		PF05896
(NQRA)
PF11973
(NQRA_SLBB) 		4 THR A 258
ALA A 246
ARG A 260
PRO A  71
 None
 1.33A 2ql8A-4u9oA:
undetectable
2ql8B-4u9oA:
undetectable		 2ql8A-4u9oA:
17.91
2ql8B-4u9oA:
17.91
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.
4x8d SULFOXIDE SYNTHASE
EGTB

(Mycolicibacterium
thermoresistibile) 		PF03781
(FGE-sulfatase)
PF12867
(DinB_2) 		4 THR A 125
ALA A 123
ARG A   9
PRO A   7
 None
 1.18A 2ql8A-4x8dA:
undetectable
2ql8B-4x8dA:
undetectable		 2ql8A-4x8dA:
13.86
2ql8B-4x8dA:
13.86
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.
4yn5 MANNAN
ENDO-1,4-BETA-MANNOS
IDASE

(Bacillus sp.
JAMB750) 		PF02156
(Glyco_hydro_26) 		4 ARG A 243
TYR A 253
THR A 238
PRO A 210
 None
 1.40A 2ql8A-4yn5A:
undetectable
2ql8B-4yn5A:
undetectable		 2ql8A-4yn5A:
16.02
2ql8B-4yn5A:
16.02
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.
4yra L-THREONINE
3-DEHYDROGENASE,
MITOCHONDRIAL

(Mus musculus) 		PF01370
(Epimerase) 		4 ARG A 289
TYR A 291
ALA A 281
ARG A 218
 None
 1.41A 2ql8A-4yraA:
undetectable
2ql8B-4yraA:
undetectable		 2ql8A-4yraA:
18.73
2ql8B-4yraA:
18.73
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.
4yv7 PERIPLASMIC BINDING
PROTEIN/LACI
TRANSCRIPTIONAL
REGULATOR

(Mycolicibacterium
smegmatis) 		PF13407
(Peripla_BP_4) 		4 ARG A 180
TYR A 227
THR A 273
ALA A 274
 GOL  A 401 (-3.0A)
None
None
None
 1.16A 2ql8A-4yv7A:
undetectable
2ql8B-4yv7A:
undetectable		 2ql8A-4yv7A:
18.39
2ql8B-4yv7A:
18.39
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE

(Vesicular
stomatitis
virus) 		PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap) 		4 ARG A1115
THR A1280
ALA A1283
ARG A1284
 None
 1.40A 2ql8A-5a22A:
2.4
2ql8B-5a22A:
2.1		 2ql8A-5a22A:
5.31
2ql8B-5a22A:
5.31
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA
METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA

(Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis;
Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02241
(MCR_beta)
PF02783
(MCR_beta_N)
PF02240
(MCR_gamma) 		4 TYR B 340
ALA A 439
ARG C  18
PRO C   9
 None
 1.21A 2ql8A-5a8rB:
undetectable
2ql8B-5a8rB:
undetectable		 2ql8A-5a8rB:
17.46
2ql8B-5a8rB:
17.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5an9 60S RIBOSOMAL
PROTEIN L3

(Dictyostelium
discoideum) 		PF00297
(Ribosomal_L3) 		4 ARG A 287
THR A 312
ALA A 291
PRO A 315
 None
 1.44A 2ql8A-5an9A:
undetectable
2ql8B-5an9A:
undetectable		 2ql8A-5an9A:
17.27
2ql8B-5an9A:
17.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ay8 H3.Y

(Homo sapiens) 		PF00125
(Histone) 		4 ARG A 122
THR A 118
ALA A 111
ARG A 116
 None
 1.40A 2ql8A-5ay8A:
undetectable
2ql8B-5ay8A:
undetectable		 2ql8A-5ay8A:
24.84
2ql8B-5ay8A:
24.84
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.
5b13 PHYCOERYTHRIN ALPHA
SUBUNIT
PHYCOERYTHRIN BETA
SUBUNIT

(Palmaria
palmata;
Palmaria
palmata) 		PF00502
(Phycobilisome)
PF00502
(Phycobilisome) 		4 ARG G 108
TYR G  95
THR A   8
ALA A  11
 None
 1.45A 2ql8A-5b13G:
undetectable
2ql8B-5b13G:
undetectable		 2ql8A-5b13G:
19.89
2ql8B-5b13G:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b37 TRYPTOPHAN
DEHYDROGENASE

(Nostoc
punctiforme) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ARG A 333
TYR A 281
THR A 328
ALA A 331
 None
 1.24A 2ql8A-5b37A:
undetectable
2ql8B-5b37A:
undetectable		 2ql8A-5b37A:
16.62
2ql8B-5b37A:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c4g PHOSPHATIDYLINOSITOL
4-KINASE BETA

(Homo sapiens) 		PF00454
(PI3_PI4_kinase) 		4 TYR E 385
THR E 369
ALA E 517
PRO E 367
 None
SO4  E 802 (-2.8A)
None
None
 1.31A 2ql8A-5c4gE:
undetectable
2ql8B-5c4gE:
undetectable		 2ql8A-5c4gE:
16.82
2ql8B-5c4gE:
16.82
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.
5gyl LEGUMIN-LIKE PROTEIN

(Cicer arietinum) 		PF00190
(Cupin_1) 		4 ARG A 179
THR A 167
ALA A  87
PRO A  57
 None
 1.32A 2ql8A-5gylA:
undetectable
2ql8B-5gylA:
undetectable		 2ql8A-5gylA:
15.27
2ql8B-5gylA:
15.27
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.
5hdf HYDROLASE

(Streptomyces
flocculus) 		no annotation 4 ARG B 237
THR B 246
ALA B 276
PRO B 249
 None
 1.15A 2ql8A-5hdfB:
undetectable
2ql8B-5hdfB:
undetectable		 2ql8A-5hdfB:
16.13
2ql8B-5hdfB:
16.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hft GAMMA-GLUTAMYLTRANSP
EPTIDASE
GAMMA-GLUTAMYLTRANSP
EPTIDASE

(Klebsiella
pneumoniae;
Klebsiella
pneumoniae) 		PF01019
(G_glu_transpept)
PF01019
(G_glu_transpept) 		4 ARG A 295
THR A 288
ALA A 291
PRO B 429
 None
 1.41A 2ql8A-5hftA:
undetectable
2ql8B-5hftA:
undetectable		 2ql8A-5hftA:
16.44
2ql8B-5hftA:
16.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5idk GENOME
POLYPROTEIN,SERINE
PROTEASE SUBUNIT
NS2B, SERINE
PROTEASE NS3

(West Nile virus) 		PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B) 		4 ARG A1024
THR A1134
ALA A1038
PRO A1131
 None
 1.34A 2ql8A-5idkA:
undetectable
2ql8B-5idkA:
undetectable		 2ql8A-5idkA:
25.34
2ql8B-5idkA:
25.34
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		4 ARG A 386
THR A 491
ALA A 394
PRO A 500
 None
 1.39A 2ql8A-5j84A:
undetectable
2ql8B-5j84A:
undetectable		 2ql8A-5j84A:
14.43
2ql8B-5j84A:
14.43
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		4 TYR A 221
ALA A 208
ARG A 264
PRO A 222
 None
 1.39A 2ql8A-5jheA:
undetectable
2ql8B-5jheA:
undetectable		 2ql8A-5jheA:
14.86
2ql8B-5jheA:
14.86
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.
5knm CDNA FLJ39643 FIS,
CLONE SMINT2004023,
HIGHLY SIMILAR TO
HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, ALPHACHAIN
F
BETA-2-MICROGLOBULIN

(Homo sapiens;
Homo sapiens) 		PF00129
(MHC_I)
PF07654
(C1-set)
PF07654
(C1-set) 		4 ARG A  21
THR A  94
ALA A  11
PRO B  32
 None
 1.27A 2ql8A-5knmA:
undetectable
2ql8B-5knmA:
undetectable		 2ql8A-5knmA:
18.69
2ql8B-5knmA:
18.69
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.
5kum ATP-SENSITIVE INWARD
RECTIFIER POTASSIUM
CHANNEL 12

(Gallus gallus) 		PF01007
(IRK) 		4 ARG A 219
THR A 306
ALA A 305
PRO A 187
 None
 1.43A 2ql8A-5kumA:
undetectable
2ql8B-5kumA:
undetectable		 2ql8A-5kumA:
19.55
2ql8B-5kumA:
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.
5lb8 ATP-DEPENDENT DNA
HELICASE Q5

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16124
(RecQ_Zn_bind) 		4 ARG A 175
THR A 129
ALA A 133
PRO A  78
 None
 1.42A 2ql8A-5lb8A:
undetectable
2ql8B-5lb8A:
undetectable		 2ql8A-5lb8A:
14.68
2ql8B-5lb8A:
14.68
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		4 ARG A 115
THR A  57
ALA A  53
ARG A 174
 None
 1.40A 2ql8A-5mzoA:
undetectable
2ql8B-5mzoA:
undetectable		 2ql8A-5mzoA:
7.03
2ql8B-5mzoA:
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.
5wdi UBIQUITIN-ASSOCIATED
AND SH3
DOMAIN-CONTAINING
PROTEIN A

(Homo sapiens) 		PF00300
(His_Phos_1) 		4 ARG A 564
THR A 566
ALA A 567
PRO A 604
 None
 1.15A 2ql8A-5wdiA:
undetectable
2ql8B-5wdiA:
undetectable		 2ql8A-5wdiA:
18.56
2ql8B-5wdiA:
18.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wya ISOLEUCINE
2-EPIMERASE

(Lactobacillus
buchneri) 		PF00202
(Aminotran_3) 		4 ARG A 127
THR A 211
ALA A 212
PRO A 207
 None
 1.33A 2ql8A-5wyaA:
undetectable
2ql8B-5wyaA:
undetectable		 2ql8A-5wyaA:
16.93
2ql8B-5wyaA:
16.93
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.
6bog RNA
POLYMERASE-ASSOCIATE
D PROTEIN RAPA

(Escherichia
coli) 		no annotation 4 THR A 248
ALA A  44
ARG A 234
PRO A 245
 None
 1.32A 2ql8A-6bogA:
undetectable
2ql8B-6bogA:
undetectable		 2ql8A-6bogA:
undetectable
2ql8B-6bogA:
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.
6d95 -

(-) 		no annotation 4 ARG A 731
TYR A 744
THR A 738
ALA A 736
 A  B   3 ( 3.8A)
None
None
C  B   4 ( 4.7A)
 0.91A 2ql8A-6d95A:
1.5
2ql8B-6d95A:
undetectable		 2ql8A-6d95A:
undetectable
2ql8B-6d95A:
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.
6e9p -

(-) 		no annotation 4 ARG A  81
THR A  76
ALA A  79
PRO A  65
 None
EDO  A 503 (-3.2A)
None
EDO  A 503 (-4.5A)
 1.38A 2ql8A-6e9pA:
undetectable
2ql8B-6e9pA:
undetectable		 2ql8A-6e9pA:
undetectable
2ql8B-6e9pA:
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2
DNA-DIRECTED RNA
POLYMERASES I AND
III SUBUNIT RPAC1

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		no annotation
no annotation 		4 ARG C  68
TYR B1005
THR C  61
ALA C  64
 None
 0.97A 2ql8A-6f42C:
1.8
2ql8B-6f42C:
1.8		 2ql8A-6f42C:
undetectable
2ql8B-6f42C:
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.
6fml RUVB-LIKE HELICASE

(Chaetomium
thermophilum) 		no annotation 4 THR D 390
ALA D 387
ARG D 367
PRO D 363
 None
 0.86A 2ql8A-6fmlD:
undetectable
2ql8B-6fmlD:
2.7		 2ql8A-6fmlD:
undetectable
2ql8B-6fmlD:
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.
6g1o -

(-) 		no annotation 4 THR A 230
ALA A 266
ARG A 333
PRO A 232
 None
 1.33A 2ql8A-6g1oA:
undetectable
2ql8B-6g1oA:
undetectable		 2ql8A-6g1oA:
undetectable
2ql8B-6g1oA:
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.
6gqd GALACTOSE-1-PHOSPHAT
E
URIDYLYLTRANSFERASE

(Homo sapiens) 		no annotation 4 ARG A 262
THR A 305
ALA A 309
ARG A 263
 None
 1.36A 2ql8A-6gqdA:
undetectable
2ql8B-6gqdA:
undetectable		 2ql8A-6gqdA:
undetectable
2ql8B-6gqdA:
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.
6gui -

(-) 		no annotation 4 ARG A  67
THR A  62
ALA A  65
PRO A  11
 None
 1.42A 2ql8A-6guiA:
undetectable
2ql8B-6guiA:
undetectable		 2ql8A-6guiA:
undetectable
2ql8B-6guiA:
undetectable