SIMILAR PATTERNS OF AMINO ACIDS FOR 4NQA_H_9CRH501_1

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.
1a1s ORNITHINE
CARBAMOYLTRANSFERASE

(Pyrococcus
furiosus) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 ILE A  23
ALA A 300
ALA A  27
LEU A 139
ALA A 140
 None
 1.10A 4nqaH-1a1sA:
0.0		 4nqaH-1a1sA:
21.87
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.
1bw0 PROTEIN (TYROSINE
AMINOTRANSFERASE)

(Trypanosoma
cruzi) 		PF00155
(Aminotran_1_2) 		5 ILE A 406
GLN A 375
LEU A 368
HIS A 328
LEU A 325
 None
 1.03A 4nqaH-1bw0A:
undetectable		 4nqaH-1bw0A:
22.02
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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ILE A 238
ALA A 255
ALA A 256
LEU A 100
ALA A  97
 None
 0.93A 4nqaH-1fc4A:
0.0		 4nqaH-1fc4A:
20.67
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.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		5 ILE A  72
GLN A 178
LEU A 169
ILE A 142
LEU A 152
 None
 1.14A 4nqaH-1i2wA:
undetectable		 4nqaH-1i2wA:
22.07
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.
1j0h NEOPULLULANASE

(Geobacillus
stearothermophilus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16657
(Malt_amylase_C) 		5 ILE A 428
ALA A 388
LEU A 384
ILE A 455
LEU A 486
 None
 0.88A 4nqaH-1j0hA:
undetectable		 4nqaH-1j0hA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 ALA A 357
ALA A 358
GLN A 141
LEU A 136
HIS A 339
 None
 1.14A 4nqaH-1jctA:
undetectable		 4nqaH-1jctA:
20.95
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.
1kbl PYRUVATE PHOSPHATE
DIKINASE

([Clostridium]
symbiosum) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ILE A 368
ALA A 370
LEU A 864
ALA A 865
ILE A 359
 None
 1.01A 4nqaH-1kblA:
undetectable		 4nqaH-1kblA:
17.67
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.
1m3s HYPOTHETICAL PROTEIN
YCKF

(Bacillus
subtilis) 		PF01380
(SIS) 		5 ILE A  39
ALA A  55
ILE A 107
HIS A  32
LEU A  29
 None
 0.81A 4nqaH-1m3sA:
undetectable		 4nqaH-1m3sA:
19.17
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.
1n60 CARBON MONOXIDE
DEHYDROGENASE SMALL
CHAIN

(Oligotropha
carboxidovorans) 		PF00111
(Fer2)
PF01799
(Fer2_2) 		5 ILE A 149
ALA A 152
ALA A 153
LEU A  90
ALA A  89
 None
 0.94A 4nqaH-1n60A:
undetectable		 4nqaH-1n60A:
18.08
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 ILE A 179
ALA A 182
ALA A 183
ALA A 169
HIS A 201
 None
 0.78A 4nqaH-1nmoA:
undetectable		 4nqaH-1nmoA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus) 		PF00045
(Hemopexin) 		5 ILE A 347
ALA A 336
ALA A 335
ALA A 284
ILE A 328
 None
CL  A 521 (-4.5A)
CL  A 521 (-4.1A)
NA  A 522 (-4.8A)
None
 0.92A 4nqaH-1qjsA:
undetectable		 4nqaH-1qjsA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ub0 PHOSPHOMETHYLPYRIMID
INE KINASE

(Thermus
thermophilus) 		PF08543
(Phos_pyr_kin) 		5 ALA A  74
LEU A   5
ALA A   4
ILE A  84
LEU A 127
 None
 1.04A 4nqaH-1ub0A:
undetectable		 4nqaH-1ub0A:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ALA A 342
ALA A 343
ARG A 387
LEU A 397
ALA A 398
CYH A 503
HIS A 506
LEU A 507
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.0A)
None
MEI  A1001 (-4.6A)
 0.58A 4nqaH-1uhlA:
34.1		 4nqaH-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		8 ALA A 342
ALA A 343
ARG A 387
LEU A 397
ALA A 398
ILE A 416
CYH A 503
LEU A 507
 MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
None
MEI  A1001 (-4.0A)
MEI  A1001 (-4.6A)
 0.65A 4nqaH-1uhlA:
34.1		 4nqaH-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		10 ILE A 339
ALA A 342
ALA A 343
GLN A 346
PHE A 384
ARG A 387
LEU A 397
ALA A 398
CYH A 503
HIS A 506
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
None
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
MEI  A1001 (-4.0A)
None
 0.63A 4nqaH-1uhlA:
34.1		 4nqaH-1uhlA:
66.99
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1uhl RETINOIC ACID
RECEPTOR RXR-BETA

(Homo sapiens) 		PF00104
(Hormone_recep) 		9 ILE A 339
ALA A 342
ALA A 343
PHE A 384
ARG A 387
LEU A 397
ALA A 398
ILE A 416
CYH A 503
 MEI  A1001 (-3.8A)
MEI  A1001 (-3.1A)
MEI  A1001 (-3.3A)
MEI  A1001 (-4.5A)
MEI  A1001 (-3.6A)
MEI  A1001 ( 4.4A)
MEI  A1001 (-3.4A)
None
MEI  A1001 (-4.0A)
 0.72A 4nqaH-1uhlA:
34.1		 4nqaH-1uhlA:
66.99
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.
1ukw ACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A 117
ALA A 120
LEU A 150
ALA A 151
ILE A  55
 None
 0.95A 4nqaH-1ukwA:
undetectable		 4nqaH-1ukwA:
17.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		10 ILE A 242
ALA A 245
ALA A 246
ARG A 290
LEU A 300
ALA A 301
ILE A 319
CYH A 406
HIS A 409
LEU A 410
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
None
9CR  A 201 (-3.6A)
9CR  A 201 (-4.8A)
9CR  A 201 ( 4.8A)
 0.51A 4nqaH-1xiuA:
31.1		 4nqaH-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xiu RXR-LIKE PROTEIN

(Biomphalaria
glabrata) 		PF00104
(Hormone_recep) 		11 ILE A 242
ALA A 245
ALA A 246
GLN A 249
PHE A 287
ARG A 290
LEU A 300
ALA A 301
CYH A 406
HIS A 409
LEU A 410
 9CR  A 201 ( 4.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.1A)
9CR  A 201 (-4.7A)
9CR  A 201 (-2.8A)
9CR  A 201 (-4.4A)
9CR  A 201 (-3.4A)
9CR  A 201 (-3.6A)
9CR  A 201 (-4.8A)
9CR  A 201 ( 4.8A)
 0.48A 4nqaH-1xiuA:
31.1		 4nqaH-1xiuA:
62.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		11 ILE A 268
ALA A 271
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ALA A 327
CYH A 432
HIS A 435
LEU A 436
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.6A)
9CR  A 801 (-3.5A)
9CR  A 801 (-4.7A)
9CR  A 801 (-4.3A)
9CR  A 801 (-2.6A)
9CR  A 801 (-4.1A)
9CR  A 801 (-3.3A)
9CR  A 801 ( 3.7A)
None
9CR  A 801 (-4.7A)
 0.50A 4nqaH-1xlsA:
34.1		 4nqaH-1xlsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xls RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		6 ILE A 268
ALA A 272
ILE A 345
CYH A 432
HIS A 435
LEU A 436
 9CR  A 801 (-3.9A)
9CR  A 801 (-3.5A)
9CR  A 801 ( 4.5A)
9CR  A 801 ( 3.7A)
None
9CR  A 801 (-4.7A)
 0.54A 4nqaH-1xlsA:
34.1		 4nqaH-1xlsA:
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.
1yx2 AMINOMETHYLTRANSFERA
SE

(Bacillus
subtilis) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 ILE A 184
ALA A 161
LEU A 166
ALA A 165
ILE A 211
 None
 1.06A 4nqaH-1yx2A:
undetectable		 4nqaH-1yx2A:
22.65
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.
1zk7 MERCURIC REDUCTASE

(Pseudomonas
aeruginosa) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ALA A 452
ALA A 451
GLN A 453
LEU A 434
ALA A 435
 None
None
GOL  A3003 ( 3.8A)
None
None
 0.78A 4nqaH-1zk7A:
undetectable		 4nqaH-1zk7A:
22.87
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.
2csn CASEIN KINASE-1

(Schizosaccharomyces
pombe) 		PF00069
(Pkinase) 		5 ALA A 111
ALA A 112
GLN A 114
PHE A 137
HIS A 206
 None
 1.17A 4nqaH-2csnA:
undetectable		 4nqaH-2csnA:
19.84
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ILE A 353
ALA A 356
ALA A 355
LEU A 170
ALA A 171
 None
 1.14A 4nqaH-2dvmA:
undetectable		 4nqaH-2dvmA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fv2 RCD1 REQUIRED FOR
CELL
DIFFERENTIATION1
HOMOLOG

(Homo sapiens) 		PF04078
(Rcd1) 		5 ALA A  85
GLN A  82
LEU A 130
ALA A 129
LEU A  51
 None
 0.76A 4nqaH-2fv2A:
undetectable		 4nqaH-2fv2A:
21.39
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.
2i2w PHOSPHOHEPTOSE
ISOMERASE

(Escherichia
coli) 		PF13580
(SIS_2) 		5 ALA A  34
ALA A  33
GLN A  31
ILE A 176
LEU A 144
 None
 1.10A 4nqaH-2i2wA:
undetectable		 4nqaH-2i2wA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3r ZGC 92866

(Danio rerio) 		PF04051
(TRAPP) 		5 ALA B 141
ALA B 140
LEU B  54
ALA B  55
ILE B 128
 None
NO3  B1177 (-3.1A)
None
None
None
 1.05A 4nqaH-2j3rB:
undetectable		 4nqaH-2j3rB:
17.17
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.
2jpe NUCLEAR INHIBITOR OF
PROTEIN PHOSPHATASE
1

(Mus musculus) 		PF00498
(FHA) 		5 ILE A  86
ALA A  72
PHE A  14
LEU A  88
HIS A  77
 None
 1.14A 4nqaH-2jpeA:
undetectable		 4nqaH-2jpeA:
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.
2jy9 PUTATIVE TRNA
HYDROLASE DOMAIN

(Salmonella
enterica) 		PF00472
(RF-1) 		5 ILE A  72
ALA A  74
GLN A  75
ALA A  36
ILE A  64
 None
 1.12A 4nqaH-2jy9A:
undetectable		 4nqaH-2jy9A:
16.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nxx ULTRASPIRACLE (USP,
NR2B4)

(Tribolium
castaneum) 		PF00104
(Hormone_recep) 		5 PHE A 259
ARG A 262
LEU A 272
ALA A 273
CYH A 378
 None
 0.69A 4nqaH-2nxxA:
24.8		 4nqaH-2nxxA:
42.51
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.
2q8w POKEWEED ANTIVIRAL
PROTEIN

(Phytolacca
acinosa) 		PF00161
(RIP) 		5 ILE A 214
ALA A 217
ARG A 240
LEU A 222
ALA A 221
 None
 0.97A 4nqaH-2q8wA:
undetectable		 4nqaH-2q8wA:
22.13
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ILE A  62
ALA A  65
LEU A  84
ALA A  81
ILE A  53
 None
 1.04A 4nqaH-2xaxA:
undetectable		 4nqaH-2xaxA:
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 ILE A  62
ALA A  66
ALA A  65
ALA A  81
ILE A  53
 None
 1.08A 4nqaH-2xaxA:
undetectable		 4nqaH-2xaxA:
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.
2xij METHYLMALONYL-COA
MUTASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding) 		5 ILE A 728
ALA A 732
ALA A 731
LEU A 641
ILE A 479
 None
None
B12  A 800 ( 4.4A)
None
None
 0.91A 4nqaH-2xijA:
undetectable		 4nqaH-2xijA:
18.55
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.
2z0j PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA1438

(Thermus
thermophilus) 		PF04029
(2-ph_phosp) 		5 ALA A  33
ALA A  32
LEU A  83
ALA A  82
HIS A 122
 None
 1.06A 4nqaH-2z0jA:
undetectable		 4nqaH-2z0jA:
20.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
sporotrichioides) 		PF02458
(Transferase) 		5 ALA A 455
LEU A 252
ALA A 248
ILE A 383
LEU A 445
 None
 1.04A 4nqaH-2zbaA:
undetectable		 4nqaH-2zbaA:
22.34
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.
3asi NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		5 ILE A 905
GLN A 895
LEU A1016
ALA A1017
HIS A 926
 None
 1.06A 4nqaH-3asiA:
undetectable		 4nqaH-3asiA:
21.68
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.
3dme CONSERVED EXPORTED
PROTEIN

(Bordetella
pertussis) 		PF01266
(DAO) 		5 ILE A  10
ALA A 205
ALA A 204
LEU A 212
ILE A   5
 FAD  A 500 (-4.5A)
FAD  A 500 (-3.6A)
None
FAD  A 500 ( 4.3A)
None
 0.99A 4nqaH-3dmeA:
undetectable		 4nqaH-3dmeA:
22.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		11 ILE A 268
ALA A 271
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ILE A 345
CYH A 432
HIS A 435
LEU A 436
 9CR  A7223 (-3.9A)
9CR  A7223 (-3.5A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
9CR  A7223 (-4.3A)
9CR  A7223 ( 4.7A)
 0.66A 4nqaH-3dzuA:
32.4		 4nqaH-3dzuA:
78.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dzu RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		11 ILE A 268
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ALA A 327
ILE A 345
CYH A 432
HIS A 435
LEU A 436
 9CR  A7223 (-3.9A)
9CR  A7223 (-4.2A)
9CR  A7223 (-4.6A)
9CR  A7223 (-4.5A)
9CR  A7223 (-3.7A)
9CR  A7223 (-3.8A)
9CR  A7223 ( 4.7A)
9CR  A7223 ( 4.9A)
9CR  A7223 (-3.8A)
9CR  A7223 (-4.3A)
9CR  A7223 ( 4.7A)
 0.73A 4nqaH-3dzuA:
32.4		 4nqaH-3dzuA:
78.16
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.
3fg2 PUTATIVE RUBREDOXIN
REDUCTASE

(Rhodopseudomonas
palustris) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 ILE P 245
ALA P 248
ALA P 249
ILE P  32
LEU P 104
 None
None
None
FAD  P 449 ( 4.5A)
None
 1.03A 4nqaH-3fg2P:
undetectable		 4nqaH-3fg2P:
22.64
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.
3gfb L-THREONINE
3-DEHYDROGENASE

(Thermococcus
kodakarensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ILE A 275
GLN A 252
LEU A 250
ALA A 249
ILE A 282
 None
None
None
NAD  A 500 (-3.5A)
None
 0.99A 4nqaH-3gfbA:
undetectable		 4nqaH-3gfbA:
22.33
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.
3h5k RIBOSOME-INACTIVATIN
G PROTEIN
PD-L1/PD-L2

(Phytolacca
dioica) 		PF00161
(RIP) 		5 ILE A 214
ALA A 217
ARG A 240
LEU A 222
ALA A 221
 None
 0.95A 4nqaH-3h5kA:
undetectable		 4nqaH-3h5kA:
20.22
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ALA A 178
LEU A 200
ALA A 199
ILE A 209
HIS A 133
 None
 0.89A 4nqaH-3hdjA:
undetectable		 4nqaH-3hdjA:
23.42
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.
3hve GIGAXONIN

(Homo sapiens) 		PF00651
(BTB)
PF07707
(BACK) 		5 ILE A  47
ALA A  50
LEU B  20
ALA B  19
LEU A  87
 None
 0.78A 4nqaH-3hveA:
undetectable		 4nqaH-3hveA:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3msu CITRATE SYNTHASE

(Francisella
tularensis) 		PF00285
(Citrate_synt) 		5 ALA A 175
ALA A 176
LEU A 388
ALA A 384
ILE A 218
 None
 0.80A 4nqaH-3msuA:
undetectable		 4nqaH-3msuA:
22.05
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.
3o0m HIT FAMILY PROTEIN

(Mycolicibacterium
smegmatis) 		PF01230
(HIT) 		5 ILE A  67
ALA A  70
ALA A  71
LEU A 136
HIS A 101
 None
None
None
None
AMP  A 155 (-3.8A)
 0.46A 4nqaH-3o0mA:
undetectable		 4nqaH-3o0mA:
16.85
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.
3oks 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 ILE A 327
ALA A 331
ALA A 330
LEU A 298
ALA A 295
 None
 0.97A 4nqaH-3oksA:
undetectable		 4nqaH-3oksA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0w MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Ralstonia
pickettii) 		PF13378
(MR_MLE_C) 		5 ALA A 373
ALA A 374
GLN A 157
LEU A 152
HIS A 355
 None
 1.13A 4nqaH-3p0wA:
undetectable		 4nqaH-3p0wA:
21.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 ILE A 965
GLN A 955
LEU A1076
ALA A1077
HIS A 986
 None
 1.05A 4nqaH-3poyA:
undetectable		 4nqaH-3poyA:
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.
3q15 RESPONSE REGULATOR
ASPARTATE
PHOSPHATASE H

(Bacillus
subtilis) 		PF13176
(TPR_7) 		5 ALA A 246
ALA A 247
LEU A 224
ALA A 220
ILE A 282
 None
 1.08A 4nqaH-3q15A:
undetectable		 4nqaH-3q15A:
22.99
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 ILE A 949
GLN A 939
LEU A1060
ALA A1061
HIS A 970
 None
 1.11A 4nqaH-3qcwA:
undetectable		 4nqaH-3qcwA:
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.
3qr8 BASEPLATE ASSEMBLY
PROTEIN V

(Escherichia
virus P2) 		PF04717
(Phage_base_V) 		5 ILE A  69
ALA A  71
ALA A  79
ILE A  23
CYH A  33
 None
 1.17A 4nqaH-3qr8A:
undetectable		 4nqaH-3qr8A:
22.31
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.
3qwt PUTATIVE GH105
FAMILY PROTEIN

(Salmonella
enterica) 		PF07470
(Glyco_hydro_88) 		5 ILE A 325
ALA A 291
GLN A 337
LEU A 335
ILE A  18
 None
 1.15A 4nqaH-3qwtA:
undetectable		 4nqaH-3qwtA:
22.35
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		5 ILE B 119
ALA B 116
ALA B 117
ALA B 102
ILE B 194
 None
 1.03A 4nqaH-3u9rB:
undetectable		 4nqaH-3u9rB:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b8b GENERAL NEGATIVE
REGULATOR OF
TRANSCRIPTION
SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF16417
(CNOT1_TTP_bind)
PF16418
(CNOT1_HEAT)
PF16419
(CNOT1_HEAT_N) 		5 ILE A 741
ALA A 744
ALA A 745
LEU A 714
ALA A 715
 None
 0.72A 4nqaH-4b8bA:
undetectable		 4nqaH-4b8bA:
20.64
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 ALA A  48
ALA A  47
GLN A  49
ALA A  71
ILE A 106
 None
None
None
None
NAD  A 301 (-4.4A)
 1.13A 4nqaH-4cqlA:
undetectable		 4nqaH-4cqlA:
20.66
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.
4ecn LEUCINE-RICH REPEAT
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF14660
(DUF4458) 		5 ILE A 305
ALA A 301
ALA A 370
GLN A 373
ILE A 465
 None
 1.15A 4nqaH-4ecnA:
undetectable		 4nqaH-4ecnA:
18.68
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.
4g7a CARBONATE
DEHYDRATASE

(Sulfurihydrogenibium
sp. YO3AOP1) 		PF00194
(Carb_anhydrase) 		5 ILE A 137
ALA A 141
LEU A 150
ILE A 107
LEU A 201
 None
 0.89A 4nqaH-4g7aA:
undetectable		 4nqaH-4g7aA:
19.46
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.
4hwm UNCHARACTERIZED
PROTEIN YEDD

(Klebsiella
pneumoniae) 		PF13987
(YedD) 		5 ILE A  88
ALA A  31
LEU A  35
ALA A  36
ILE A  97
 None
 1.04A 4nqaH-4hwmA:
undetectable		 4nqaH-4hwmA:
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		5 ALA A 257
ALA A 258
GLN A 261
LEU A 110
ALA A 111
 None
 0.80A 4nqaH-4ia4A:
undetectable		 4nqaH-4ia4A:
21.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 9 ILE D 268
ALA D 271
ALA D 272
GLN D 275
PHE D 313
ARG D 316
LEU D 326
ALA D 327
LEU D 436
 None
 0.58A 4nqaH-4j5xD:
33.2		 4nqaH-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 7 ILE D 268
ALA D 271
ALA D 272
ILE D 345
CYH D 432
HIS D 435
LEU D 436
 None
 0.65A 4nqaH-4j5xD:
33.2		 4nqaH-4j5xD:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j5x RETINOIC ACID
RECEPTOR RXR-ALPHA,
NUCLEAR RECEPTOR
COACTIVATOR 1

(Homo sapiens) 		no annotation 9 ILE D 268
ALA D 271
ALA D 272
PHE D 313
ARG D 316
ALA D 327
CYH D 432
HIS D 435
LEU D 436
 None
 0.66A 4nqaH-4j5xD:
33.2		 4nqaH-4j5xD:
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.
4mij TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ILE A 261
ALA A 265
ALA A 264
LEU A 146
ALA A 147
 None
 0.97A 4nqaH-4mijA:
undetectable		 4nqaH-4mijA:
22.69
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.
4ngu TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Desulfovibrio
alaskensis) 		PF03480
(DctP) 		5 ILE A 266
ALA A 270
ALA A 269
LEU A 151
ALA A 152
 None
 1.00A 4nqaH-4nguA:
undetectable		 4nqaH-4nguA:
20.53
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.
4nn1 TRANSCRIPTIONAL
REGULATOR

(Mycobacterium
tuberculosis) 		PF00440
(TetR_N) 		5 ILE A  12
ALA A  15
ALA A  16
GLN A  19
ALA A  35
 None
 0.64A 4nqaH-4nn1A:
undetectable		 4nqaH-4nn1A:
21.07
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.
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		5 ALA A 309
ALA A 308
GLN A 310
LEU A  96
ALA A  95
 None
None
SO4  A 404 (-3.4A)
None
None
 1.17A 4nqaH-4o5aA:
undetectable		 4nqaH-4o5aA:
23.82
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.
4o5a LACI FAMILY
TRANSCRIPTION
REGULATOR

(Bifidobacterium
animalis) 		PF13377
(Peripla_BP_3) 		5 ALA A 309
ALA A 308
LEU A  96
ALA A  95
LEU A 133
 None
 0.98A 4nqaH-4o5aA:
undetectable		 4nqaH-4o5aA:
23.82
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.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Ochrobactrum
anthropi) 		PF03480
(DctP) 		5 ILE A 260
ALA A 264
ALA A 263
LEU A 144
ALA A 145
 None
 0.89A 4nqaH-4p47A:
undetectable		 4nqaH-4p47A:
21.08
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.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ALA A 267
ALA A 266
GLN A 268
LEU A 147
ALA A 148
 None
 1.13A 4nqaH-4pddA:
undetectable		 4nqaH-4pddA:
22.68
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.
4pdd TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ALA A 267
ALA A 266
GLN A 268
LEU A 245
ALA A 148
 None
 1.12A 4nqaH-4pddA:
undetectable		 4nqaH-4pddA:
22.68
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.
4uvk ZYRO0D15994P

(Zygosaccharomyces
rouxii) 		PF08514
(STAG) 		5 ILE A 421
ALA A 437
GLN A 439
LEU A 390
LEU A 450
 None
 1.14A 4nqaH-4uvkA:
undetectable		 4nqaH-4uvkA:
16.34
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.
4xhf NA-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT C
NQRC

(Shewanella
oneidensis) 		PF04205
(FMN_bind) 		5 ILE A 162
ALA A 154
ALA A  53
ILE A 215
HIS A 216
 None
 1.11A 4nqaH-4xhfA:
undetectable		 4nqaH-4xhfA:
19.95
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.
4xni DI-OR TRIPEPTIDE:H+
SYMPORTER

(Streptococcus
thermophilus) 		PF00854
(PTR2) 		5 ILE A 165
ALA A 169
ALA A 168
LEU A 181
ALA A 178
 None
 1.17A 4nqaH-4xniA:
undetectable		 4nqaH-4xniA:
19.88
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.
4y21 PROTEIN UNC-13
HOMOLOG A

(Rattus
norvegicus) 		PF06292
(DUF1041)
PF10540
(Membr_traf_MHD) 		5 ILE A 507
ALA A 503
LEU A 429
ALA A 425
LEU A 529
 None
 1.15A 4nqaH-4y21A:
undetectable		 4nqaH-4y21A:
22.16
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.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 ALA A  49
ALA A  50
LEU A  41
ALA A  37
ILE A  84
 None
 1.04A 4nqaH-4ynvA:
undetectable		 4nqaH-4ynvA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ynv ACL4

(Chaetomium
thermophilum) 		PF13432
(TPR_16) 		5 ILE A  46
ALA A  49
ALA A  50
LEU A  41
ALA A  37
 None
 1.15A 4nqaH-4ynvA:
undetectable		 4nqaH-4ynvA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aoh CARF

(Serratia sp.
ATCC 39006) 		PF03781
(FGE-sulfatase) 		5 ALA A 153
ALA A 152
LEU A 242
ALA A 170
LEU A  34
 None
 1.11A 4nqaH-5aohA:
undetectable		 4nqaH-5aohA:
22.37
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.
5doi TELOMERASE
ASSOCIATED PROTEIN
P45

(Tetrahymena
thermophila) 		no annotation 5 ILE E  52
ALA E  59
PHE E  24
LEU E  10
ILE E 105
 None
 1.07A 4nqaH-5doiE:
undetectable		 4nqaH-5doiE:
16.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7v LMO0181 PROTEIN

(Listeria
monocytogenes) 		PF01547
(SBP_bac_1) 		5 ALA A 205
ALA A 204
GLN A 206
ALA A 295
ILE A 382
 None
 0.80A 4nqaH-5f7vA:
undetectable		 4nqaH-5f7vA:
22.17
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.
5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ILE A 662
PHE A 622
LEU A 623
ALA A 624
ILE A 639
 None
 1.02A 4nqaH-5iudA:
undetectable		 4nqaH-5iudA:
17.56
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.
5l6m RIBONUCLEASE VAPC

(Caulobacter
vibrioides) 		PF01850
(PIN) 		5 ILE B  82
ALA B 100
ALA B  99
GLN B 101
ALA B  75
 None
 0.92A 4nqaH-5l6mB:
undetectable		 4nqaH-5l6mB:
18.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lac 3CL PROTEASE

(Alphamesonivirus
1) 		PF17222
(Peptidase_C107) 		5 ILE A  90
ALA A  83
LEU A  85
CYH A  70
LEU A  73
 None
 1.16A 4nqaH-5lacA:
undetectable		 4nqaH-5lacA:
22.08
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.
5lnx ACYL-COA
DEHYDROGENASE

(Bacillus
subtilis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ILE A  22
ALA A  25
ALA A  26
LEU A  39
ILE A  71
 None
 1.13A 4nqaH-5lnxA:
undetectable		 4nqaH-5lnxA:
21.19
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.
5ohs -

(-) 		no annotation 5 ILE A 257
ALA A 260
PHE A 541
LEU A 538
ALA A 539
 None
 0.88A 4nqaH-5ohsA:
undetectable		 4nqaH-5ohsA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 9 ILE A 268
ALA A 271
ALA A 272
ARG A 316
LEU A 326
ALA A 327
ILE A 345
CYH A 432
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 (-3.3A)
9CR  A 503 ( 4.8A)
 0.72A 4nqaH-5uanA:
33.3		 4nqaH-5uanA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 9 ILE A 268
ALA A 271
ALA A 272
GLN A 275
PHE A 313
ARG A 316
LEU A 326
ALA A 327
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
9CR  A 503 ( 4.8A)
 0.62A 4nqaH-5uanA:
33.3		 4nqaH-5uanA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 9 ILE A 268
ALA A 271
ALA A 272
GLN A 275
PHE A 313
LEU A 326
ALA A 327
HIS A 435
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.8A)
9CR  A 503 (-4.7A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
None
9CR  A 503 ( 4.8A)
 0.46A 4nqaH-5uanA:
33.3		 4nqaH-5uanA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 9 ILE A 268
ALA A 271
ALA A 272
PHE A 313
ARG A 316
LEU A 326
ALA A 327
CYH A 432
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-4.7A)
9CR  A 503 (-3.0A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
9CR  A 503 (-3.3A)
9CR  A 503 ( 4.8A)
 0.64A 4nqaH-5uanA:
33.3		 4nqaH-5uanA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5uan RETINOIC ACID
RECEPTOR RXR-ALPHA

(Homo sapiens) 		no annotation 9 ILE A 268
ALA A 271
ALA A 272
PHE A 313
LEU A 326
ALA A 327
CYH A 432
HIS A 435
LEU A 436
 9CR  A 503 (-4.0A)
9CR  A 503 (-3.5A)
9CR  A 503 (-3.5A)
9CR  A 503 (-4.7A)
9CR  A 503 (-4.3A)
9CR  A 503 (-3.4A)
9CR  A 503 (-3.3A)
None
9CR  A 503 ( 4.8A)
 0.50A 4nqaH-5uanA:
33.3		 4nqaH-5uanA:
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.
5un0 PROTEASOME ASSEMBLY
CHAPERONE 2 (PAC2)
HOMOLOGUE RV2125

(Mycobacterium
tuberculosis) 		PF09754
(PAC2) 		5 ALA 1  21
ALA 1  20
ALA 1  32
CYH 1 111
LEU 1 114
 None
 1.09A 4nqaH-5un01:
undetectable		 4nqaH-5un01:
21.73
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.
5vba LYSOZYME, ESX-1
SECRETION-ASSOCIATED
PROTEIN ESPG1
CHIMERA

(Escherichia
virus T4;
Mycobacterium
kansasii) 		PF00959
(Phage_lysozyme)
PF14011
(ESX-1_EspG) 		5 ILE A 202
LEU A 260
ALA A 259
ILE A 122
LEU A 149
 None
 1.03A 4nqaH-5vbaA:
undetectable		 4nqaH-5vbaA:
23.44
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.
5xez GLUCAGON
RECEPTOR,ENDOLYSIN,G
LUCAGON RECEPTOR

(Escherichia
virus T4;
Homo sapiens) 		PF00002
(7tm_2)
PF00959
(Phage_lysozyme)
PF02793
(HRM) 		5 ALA A 397
LEU A 156
ALA A 155
ILE A 235
LEU A 358
 None
 0.98A 4nqaH-5xezA:
undetectable		 4nqaH-5xezA:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xym 50S RIBOSOMAL
PROTEIN L22

(Mycolicibacterium
smegmatis) 		PF00237
(Ribosomal_L22) 		5 ILE S  58
ALA S  61
ALA S  62
ALA S  10
ILE S  42
 None
 1.03A 4nqaH-5xymS:
undetectable		 4nqaH-5xymS:
19.50
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.
5y4d ANKYRIN-1,ANKYRIN-2,
ANKYRIN-2

(Homo sapiens;
Mus musculus) 		PF00023
(Ank)
PF12796
(Ank_2)
PF13637
(Ank_4) 		5 ALA A2471
ALA A2439
GLN A2476
ALA A2474
ILE A2427
 None
 1.15A 4nqaH-5y4dA:
undetectable		 4nqaH-5y4dA:
19.35
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.
6b0k IOTA-CARRAGEENAN
SULFATASE

(Pseudoalteromonas) 		no annotation 5 ILE A  35
ALA A  37
ALA A 231
HIS A 324
LEU A 322
 None
 1.12A 4nqaH-6b0kA:
undetectable		 4nqaH-6b0kA:
12.91
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT D

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 221
ALA B 224
LEU B 256
HIS B 287
LEU B 284
 None
 0.99A 4nqaH-6c6lB:
undetectable		 4nqaH-6c6lB:
14.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 5 ILE C 312
ALA C 315
ALA C 316
LEU C 505
ILE C 273
 None
 0.95A 4nqaH-6f5oC:
undetectable		 4nqaH-6f5oC:
14.37