SIMILAR PATTERNS OF AMINO ACIDS FOR 5X23_A_LSNA503

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.
1a81 SYK KINASE

(Homo sapiens) 		PF00017
(SH2) 		4 PRO A 119
GLY A 118
THR A 117
ASN A  19
 None
 1.21A 5x23A-1a81A:
0.0		 5x23A-1a81A:
19.18
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.
1bgx TP7 MAB

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PRO H  41
GLY H  42
ASN H  43
LYS H  44
 None
 1.15A 5x23A-1bgxH:
0.0		 5x23A-1bgxH:
15.66
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.
1cte CATHEPSIN B

(Rattus
norvegicus) 		PF00112
(Peptidase_C1) 		4 PRO A 169
GLY A 168
ASN A 167
LYS A 166
 None
 1.24A 5x23A-1cteA:
0.0		 5x23A-1cteA:
18.26
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.
1cxy CYTOCHROME B5

(Ectothiorhodospira
shaposhnikovii) 		PF00173
(Cyt-b5) 		4 PRO A   8
GLY A  84
THR A  85
LYS A  31
 None
 1.22A 5x23A-1cxyA:
undetectable		 5x23A-1cxyA:
13.16
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.
1dbt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Bacillus
subtilis) 		PF00215
(OMPdecase) 		4 PRO A  67
THR A  69
ASN A  71
LYS A  72
 None
 1.06A 5x23A-1dbtA:
0.0		 5x23A-1dbtA:
20.42
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.
1e8j RUBREDOXIN

(Desulfovibrio
gigas) 		PF00301
(Rubredoxin) 		4 PRO A  26
GLY A  27
THR A  28
LYS A  29
 None
 1.10A 5x23A-1e8jA:
undetectable		 5x23A-1e8jA:
14.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1md7 C1R COMPLEMENT
SERINE PROTEASE

(Homo sapiens) 		PF00084
(Sushi)
PF00089
(Trypsin) 		4 PRO A 459
GLY A 456
ASN A 457
LYS A 454
 None
 0.93A 5x23A-1md7A:
undetectable		 5x23A-1md7A:
20.17
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.
1qxy METHIONYL
AMINOPEPTIDASE

(Staphylococcus
aureus) 		PF00557
(Peptidase_M24) 		4 PRO A 139
GLY A 140
THR A 141
LYS A 142
 None
 1.04A 5x23A-1qxyA:
0.0		 5x23A-1qxyA:
19.62
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.
1s8e EXONUCLEASE PUTATIVE

(Pyrococcus
furiosus) 		PF00149
(Metallophos) 		4 PRO A  58
GLY A  59
THR A  60
LYS A  63
 None
 0.47A 5x23A-1s8eA:
0.0		 5x23A-1s8eA:
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.
1sie POLYOMAVIRUS COAT
PROTEIN VP1

(Mus musculus
polyomavirus 1) 		PF00718
(Polyoma_coat) 		4 PRO A  90
GLY A  91
THR A  94
ASN A  92
 None
GAL  A 385 ( 4.6A)
None
None
 1.21A 5x23A-1sieA:
undetectable		 5x23A-1sieA:
22.86
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.
1t61 TYPE IV COLLAGEN

(Bos taurus) 		PF01413
(C4) 		4 PRO A  22
GLY A  23
THR A  24
LYS A  25
 None
 1.10A 5x23A-1t61A:
undetectable		 5x23A-1t61A:
18.37
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.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		4 PRO A 471
GLY A 470
ASN A 467
LYS A 468
 None
 1.04A 5x23A-1v8bA:
undetectable		 5x23A-1v8bA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		4 PRO A 338
GLY A 339
ASN A 412
LYS A 341
 None
 1.23A 5x23A-1vl4A:
undetectable		 5x23A-1vl4A:
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.
1vpv UPF0230 PROTEIN
TM1468

(Thermotoga
maritima) 		PF02645
(DegV) 		4 PRO A 274
GLY A 275
THR A 276
ASN A 239
 None
 0.98A 5x23A-1vpvA:
undetectable		 5x23A-1vpvA:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wd3 ALPHA-L-ARABINOFURAN
OSIDASE B

(Aspergillus
kawachii) 		PF05270
(AbfB)
PF09206
(ArabFuran-catal) 		4 PRO A 142
GLY A 143
THR A 144
ASN A 300
 None
 0.77A 5x23A-1wd3A:
undetectable		 5x23A-1wd3A:
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.
1wmr ISOPULLULANASE

(Aspergillus
niger) 		PF03718
(Glyco_hydro_49)
PF17433
(Glyco_hydro_49N) 		4 PRO A 359
GLY A 360
THR A 361
ASN A 381
 None
None
None
NAG  A1003 (-1.8A)
 1.15A 5x23A-1wmrA:
undetectable		 5x23A-1wmrA:
21.51
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.
1yk4 RUBREDOXIN

(Pyrococcus
abyssi) 		PF00301
(Rubredoxin) 		4 PRO A  26
GLY A  27
THR A  28
LYS A  29
 None
 0.99A 5x23A-1yk4A:
undetectable		 5x23A-1yk4A:
10.03
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 GLY A 521
THR A 522
ASN A 518
LYS A 523
 None
 0.99A 5x23A-2bucA:
undetectable		 5x23A-2bucA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4y FLAGELLAR
HOOK-ASSOCIATED
PROTEIN 1

(Salmonella
enterica) 		no annotation 4 GLY A 485
THR A 488
ASN A 486
LYS A 487
 None
 1.08A 5x23A-2d4yA:
undetectable		 5x23A-2d4yA:
22.28
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.
2dw1 CATROCOLLASTATIN

(Crotalus atrox) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 587
GLY A 588
THR A 589
LYS A 590
 None
 1.03A 5x23A-2dw1A:
undetectable		 5x23A-2dw1A:
21.03
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.
2e0p ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF12891
(Glyco_hydro_44) 		4 PRO A 351
GLY A 352
THR A 353
LYS A 354
 None
 1.15A 5x23A-2e0pA:
undetectable		 5x23A-2e0pA:
22.14
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.
2e3x COAGULATION FACTOR
X-ACTIVATING ENZYME
HEAVY CHAIN

(Daboia
siamensis) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 399
GLY A 400
THR A 401
LYS A 402
 None
 1.15A 5x23A-2e3xA:
undetectable		 5x23A-2e3xA:
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.
2erq VASCULAR
APOPTOSIS-INDUCING
PROTEIN 1

(Crotalus atrox) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 588
GLY A 589
THR A 590
LYS A 591
 None
 1.18A 5x23A-2erqA:
undetectable		 5x23A-2erqA:
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.
2ete OXALATE OXIDASE 1

(Hordeum vulgare) 		PF00190
(Cupin_1) 		4 PRO A  65
GLY A  66
THR A  67
ASN A  68
 None
 1.01A 5x23A-2eteA:
undetectable		 5x23A-2eteA:
16.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ex5 DNA ENDONUCLEASE
I-CEUI

(Chlamydomonas
moewusii) 		PF00961
(LAGLIDADG_1) 		4 PRO A   8
GLY A   9
ASN A 120
LYS A  11
 None
 1.14A 5x23A-2ex5A:
undetectable		 5x23A-2ex5A:
16.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gi4 POSSIBLE
PHOSPHOTYROSINE
PROTEIN PHOSPHATASE

(Campylobacter
jejuni) 		PF01451
(LMWPc) 		4 GLY A  54
THR A  55
ASN A  57
LYS A  58
 None
 0.59A 5x23A-2gi4A:
undetectable		 5x23A-2gi4A:
17.19
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.
2icu HYPOTHETICAL PROTEIN
YEDK

(Escherichia
coli) 		PF02586
(SRAP) 		4 PRO A  47
GLY A  48
THR A  49
LYS A  50
 None
 1.11A 5x23A-2icuA:
undetectable		 5x23A-2icuA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jsz PROBABLE THIOL
PEROXIDASE

(Bacillus
subtilis) 		PF08534
(Redoxin) 		4 PRO A  10
GLY A   9
THR A   5
LYS A   7
 None
 1.23A 5x23A-2jszA:
undetectable		 5x23A-2jszA:
16.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2llf VILLIN-1

(Gallus gallus) 		PF00626
(Gelsolin) 		4 GLY A  11
THR A  10
ASN A   8
LYS A   9
 None
 1.12A 5x23A-2llfA:
undetectable		 5x23A-2llfA:
13.44
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		4 GLY A 228
THR A 229
ASN A 231
LYS A 232
 None
PLM  A 502 (-3.9A)
None
None
 0.78A 5x23A-2nnjA:
58.2		 5x23A-2nnjA:
78.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		4 PRO A 227
GLY A 228
THR A 229
LYS A 232
 None
None
PLM  A 502 (-3.9A)
None
 0.43A 5x23A-2nnjA:
58.2		 5x23A-2nnjA:
78.57
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.
2nr7 SECRETION ACTIVATOR
PROTEIN, PUTATIVE

(Porphyromonas
gingivalis) 		PF05838
(Glyco_hydro_108)
PF09374
(PG_binding_3) 		4 GLY A 119
THR A 122
ASN A 120
LYS A 121
 None
 0.95A 5x23A-2nr7A:
undetectable		 5x23A-2nr7A:
17.40
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.
2ov9 HYPOTHETICAL PROTEIN

(Rhodococcus
jostii) 		PF03061
(4HBT) 		4 PRO A  94
GLY A  93
THR A  92
ASN A  96
 None
 0.95A 5x23A-2ov9A:
undetectable		 5x23A-2ov9A:
17.76
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.
2oyz UPF0345 PROTEIN
VPA0057

(Vibrio
parahaemolyticus) 		PF06865
(DUF1255) 		4 PRO A  42
GLY A  75
THR A  39
ASN A  76
 None
 1.18A 5x23A-2oyzA:
undetectable		 5x23A-2oyzA:
12.11
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.
2pvx RUBREDOXIN

(Pyrococcus
furiosus) 		PF00301
(Rubredoxin) 		4 PRO A  26
GLY A  27
THR A  28
LYS A  29
 None
 1.07A 5x23A-2pvxA:
undetectable		 5x23A-2pvxA:
17.48
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.
2pyw UNCHARACTERIZED
PROTEIN

(Arabidopsis
thaliana) 		PF01636
(APH) 		4 PRO A 325
GLY A 324
ASN A 321
LYS A 322
 None
 1.06A 5x23A-2pywA:
undetectable		 5x23A-2pywA:
20.93
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.
2pzi PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNG

(Mycobacterium
tuberculosis) 		PF00069
(Pkinase)
PF16918
(PknG_TPR)
PF16919
(PknG_rubred) 		4 PRO A 322
GLY A 321
THR A 320
ASN A 301
 None
 0.99A 5x23A-2pziA:
undetectable		 5x23A-2pziA:
20.84
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.
2qul D-TAGATOSE
3-EPIMERASE

(Pseudomonas
cichorii) 		PF01261
(AP_endonuc_2) 		4 GLY A 241
THR A 242
ASN A   2
LYS A   3
 None
 1.08A 5x23A-2qulA:
undetectable		 5x23A-2qulA:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r98 PUTATIVE
ACETYLGLUTAMATE
SYNTHASE

(Neisseria
gonorrhoeae) 		PF00583
(Acetyltransf_1)
PF00696
(AA_kinase) 		4 GLY A  38
THR A  39
ASN A  41
LYS A  42
 None
 1.23A 5x23A-2r98A:
undetectable		 5x23A-2r98A:
19.77
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.
2uyg 3-DEHYDROQUINATE
DEHYDRATASE

(Thermus
thermophilus) 		PF01220
(DHquinase_II) 		4 PRO A   8
GLY A   7
THR A  49
ASN A   6
 None
 1.13A 5x23A-2uygA:
undetectable		 5x23A-2uygA:
15.99
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		4 GLY A 617
THR A 618
ASN A 633
LYS A 630
 None
 1.11A 5x23A-2waeA:
undetectable		 5x23A-2waeA:
21.44
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.
2yjq CEL44C

(Paenibacillus
polymyxa) 		PF12891
(Glyco_hydro_44) 		4 PRO A 350
GLY A 351
THR A 352
LYS A 353
 None
 1.16A 5x23A-2yjqA:
undetectable		 5x23A-2yjqA:
18.74
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.
2yy5 TRYPTOPHANYL-TRNA
SYNTHETASE

(Mycoplasma
pneumoniae) 		PF00579
(tRNA-synt_1b) 		4 PRO A 244
GLY A 245
THR A 247
ASN A 248
 None
 1.16A 5x23A-2yy5A:
undetectable		 5x23A-2yy5A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		4 PRO A 387
GLY A 381
THR A 380
ASN A 382
 None
 0.84A 5x23A-2zwsA:
undetectable		 5x23A-2zwsA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqp PROBABLE SECDF
PROTEIN-EXPORT
MEMBRANE PROTEIN

(Thermus
thermophilus) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG) 		4 PRO A 531
GLY A 480
THR A 481
LYS A 528
 None
 1.17A 5x23A-3aqpA:
undetectable		 5x23A-3aqpA:
21.72
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.
3cam COLD-SHOCK DOMAIN
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00313
(CSD) 		4 PRO A  56
GLY A  55
THR A  54
LYS A  59
 None
 1.22A 5x23A-3camA:
undetectable		 5x23A-3camA:
8.03
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.
3d3u 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		4 PRO A  24
GLY A  25
THR A  26
ASN A  53
 None
 1.08A 5x23A-3d3uA:
undetectable		 5x23A-3d3uA:
22.47
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.
3dsl ZINC
METALLOPROTEINASE-DI
SINTEGRIN
BOTHROPASIN

(Bothrops
jararaca) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 399
GLY A 400
THR A 401
LYS A 402
 None
 1.04A 5x23A-3dslA:
undetectable		 5x23A-3dslA:
20.68
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.
3ebt UNCHARACTERIZED
NTF2-LIKE PROTEIN

(Burkholderia
pseudomallei) 		PF12680
(SnoaL_2) 		4 PRO A  72
GLY A  86
THR A  87
LYS A 101
 None
 1.07A 5x23A-3ebtA:
undetectable		 5x23A-3ebtA:
15.71
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		4 PRO A 319
GLY A 318
THR A 314
ASN A 317
 None
 1.15A 5x23A-3fcrA:
undetectable		 5x23A-3fcrA:
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.
3frk QDTB

(Thermoanaerobacterium
thermosaccharolyticum) 		PF01041
(DegT_DnrJ_EryC1) 		4 PRO A 331
GLY A 328
THR A 327
ASN A 329
 None
 0.89A 5x23A-3frkA:
undetectable		 5x23A-3frkA:
23.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fy4 6-4 PHOTOLYASE

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 PRO A 478
GLY A 345
THR A 344
LYS A 343
 None
 1.24A 5x23A-3fy4A:
undetectable		 5x23A-3fy4A:
20.77
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.
3gyr PHENOXAZINONE
SYNTHASE

(Streptomyces
antibioticus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 PRO A 448
GLY A 449
THR A 450
LYS A 451
 None
 1.08A 5x23A-3gyrA:
undetectable		 5x23A-3gyrA:
22.00
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.
3hdb AAHIV

(Deinagkistrodon
acutus) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 587
GLY A 588
THR A 589
LYS A 590
 None
 1.18A 5x23A-3hdbA:
undetectable		 5x23A-3hdbA:
20.62
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.
3hqx UPF0345 PROTEIN
ACIAD0356

(Acinetobacter
sp. ADP1) 		PF06865
(DUF1255) 		4 PRO A  55
GLY A  88
THR A  52
ASN A  89
 None
 1.19A 5x23A-3hqxA:
undetectable		 5x23A-3hqxA:
12.82
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.
3i23 OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Enterococcus
faecalis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 GLY A 315
THR A 311
ASN A 314
LYS A 313
 None
 0.90A 5x23A-3i23A:
undetectable		 5x23A-3i23A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ik2 ENDOGLUCANASE A

(Clostridium
acetobutylicum) 		PF12891
(Glyco_hydro_44) 		4 PRO A 344
GLY A 345
THR A 346
LYS A 347
 None
 1.07A 5x23A-3ik2A:
undetectable		 5x23A-3ik2A:
20.71
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.
3jcu OXYGEN-EVOLVING
ENHANCER PROTEIN 1,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF01716
(MSP) 		4 PRO O 175
GLY O 174
THR O 130
LYS O 132
 None
 1.04A 5x23A-3jcuO:
undetectable		 5x23A-3jcuO:
20.79
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.
3k7l ATRAGIN

(Naja atra) 		PF00200
(Disintegrin)
PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 591
GLY A 592
THR A 593
LYS A 594
 None
 1.02A 5x23A-3k7lA:
undetectable		 5x23A-3k7lA:
20.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k7n K-LIKE

(Naja atra) 		PF01421
(Reprolysin)
PF08516
(ADAM_CR) 		4 PRO A 571
GLY A 572
THR A 573
LYS A 574
 NAG  A 901 ( 4.9A)
None
None
None
 1.16A 5x23A-3k7nA:
undetectable		 5x23A-3k7nA:
21.91
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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		4 GLY A  85
THR A  84
ASN A  39
LYS A  83
 None
 0.95A 5x23A-3l2eA:
undetectable		 5x23A-3l2eA:
22.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l2k EHPF

(Pantoea
agglomerans) 		PF00501
(AMP-binding) 		4 PRO A  82
GLY A  37
THR A  36
LYS A  34
 None
 1.06A 5x23A-3l2kA:
undetectable		 5x23A-3l2kA:
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.
3mp6 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,LINKER,SAGA-
ASSOCIATED FACTOR 29

(Escherichia
coli;
Saccharomyces
cerevisiae;
unidentified) 		PF07039
(DUF1325)
PF13416
(SBP_bac_8) 		4 PRO A1197
GLY A1198
THR A1199
LYS A1200
 None
 1.11A 5x23A-3mp6A:
undetectable		 5x23A-3mp6A:
21.42
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.
3mru AMINOACYL-HISTIDINE
DIPEPTIDASE

(Vibrio
alginolyticus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 GLY A 113
THR A 114
ASN A  88
LYS A  87
 None
 1.19A 5x23A-3mruA:
undetectable		 5x23A-3mruA:
21.67
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.
3nf2 PUTATIVE POLYPRENYL
SYNTHETASE

(Streptomyces
coelicolor) 		PF00348
(polyprenyl_synt) 		4 GLY A 215
THR A 218
ASN A 216
LYS A 217
 None
None
None
SO4  A   3 (-2.8A)
 1.18A 5x23A-3nf2A:
undetectable		 5x23A-3nf2A:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3puk SYNTAXIN-BINDING
PROTEIN 3

(Mus musculus) 		PF00995
(Sec1) 		4 PRO A 452
GLY A 417
THR A 418
ASN A 416
 None
 1.18A 5x23A-3pukA:
undetectable		 5x23A-3pukA:
21.72
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 PRO A 310
GLY A 311
THR A 312
LYS A 313
 None
 1.14A 5x23A-3stjA:
undetectable		 5x23A-3stjA:
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.
3tej ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00550
(PP-binding)
PF00975
(Thioesterase) 		4 PRO A1277
GLY A1278
THR A1279
LYS A1282
 None
 0.92A 5x23A-3tejA:
undetectable		 5x23A-3tejA:
20.75
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.
3u80 3-DEHYDROQUINATE
DEHYDRATASE, TYPE II

(Bifidobacterium
longum) 		PF01220
(DHquinase_II) 		4 PRO A  10
GLY A   9
THR A  51
ASN A   8
 None
 1.07A 5x23A-3u80A:
undetectable		 5x23A-3u80A:
16.55
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.
3uid PUTATIVE
UNCHARACTERIZED
PROTEIN

(Mycolicibacterium
smegmatis) 		PF08327
(AHSA1) 		4 PRO A  69
GLY A  68
THR A  67
LYS A  73
 None
 1.16A 5x23A-3uidA:
undetectable		 5x23A-3uidA:
15.13
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.
3up6 HYPOTHETICAL PROTEIN
BACOVA_04078

(Bacteroides
ovatus) 		no annotation 4 GLY A 221
THR A 222
ASN A 225
LYS A 230
 None
 1.05A 5x23A-3up6A:
undetectable		 5x23A-3up6A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ar6 RUBREDOXIN

(Pyrococcus
furiosus) 		PF00301
(Rubredoxin) 		4 PRO A  25
GLY A  26
THR A  27
LYS A  28
 None
 1.14A 5x23A-4ar6A:
undetectable		 5x23A-4ar6A:
10.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4egt MAJOR CAPSID PROTEIN
VP60

(Rabbit
hemorrhagic
disease virus) 		PF00915
(Calici_coat) 		4 GLY A 537
THR A 538
ASN A 458
LYS A 457
 None
 1.20A 5x23A-4egtA:
undetectable		 5x23A-4egtA:
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.
4iwn TRNA
(CMO5U34)-METHYLTRAN
SFERASE

(Escherichia
coli) 		PF13649
(Methyltransf_25) 		4 PRO A  56
GLY A  57
THR A  58
ASN A  82
 None
 1.07A 5x23A-4iwnA:
undetectable		 5x23A-4iwnA:
18.37
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.
4j30 PUTATIVE CYTOPLASMIC
PROTEIN

(Salmonella
enterica) 		PF14113
(Tae4) 		4 GLY A  37
THR A  36
ASN A  34
LYS A  33
 None
ETX  A 205 ( 4.8A)
None
ETX  A 205 (-4.3A)
 1.01A 5x23A-4j30A:
undetectable		 5x23A-4j30A:
16.42
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		4 PRO A 429
GLY A 430
THR A 431
LYS A 432
 None
 1.13A 5x23A-4kgbA:
undetectable		 5x23A-4kgbA:
22.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oy2 TRANSCRIPTION
INITIATION FACTOR
TFIID SUBUNIT 1

(Saccharomyces
cerevisiae) 		PF12157
(DUF3591) 		4 PRO A 504
GLY A 505
THR A 506
LYS A 507
 None
 1.09A 5x23A-4oy2A:
undetectable		 5x23A-4oy2A:
21.95
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.
4r9g MBP1

(Caldanaerobius
polysaccharolyticus) 		PF13416
(SBP_bac_8) 		4 GLY A 178
THR A 179
ASN A 177
LYS A 176
 None
 1.21A 5x23A-4r9gA:
undetectable		 5x23A-4r9gA:
21.28
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.
4rjk ACETOLACTATE
SYNTHASE

(Bacillus
subtilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 PRO A  37
GLY A  38
THR A  84
LYS A  40
 None
 1.19A 5x23A-4rjkA:
undetectable		 5x23A-4rjkA:
23.29
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.
4ud1 N PROTEIN

(Middle East
respiratory
syndrome-related
coronavirus) 		PF00937
(Corona_nucleoca) 		4 PRO A 152
GLY A 153
THR A 154
LYS A 155
 None
 1.06A 5x23A-4ud1A:
undetectable		 5x23A-4ud1A:
15.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bty LPG1496

(Legionella
pneumophila) 		no annotation 4 PRO A 260
THR A 261
ASN A 267
LYS A 262
 None
 1.09A 5x23A-5btyA:
undetectable		 5x23A-5btyA:
16.48
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.
5iud DNA POLYMERASE ALPHA
CATALYTIC SUBUNIT

(Homo sapiens) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 GLY A1092
THR A1091
ASN A1093
LYS A1089
 None
 1.21A 5x23A-5iudA:
undetectable		 5x23A-5iudA:
18.93
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.
5ixd TYROSINE-PROTEIN
KINASE JAK1

(Homo sapiens) 		no annotation 4 PRO A 222
THR A 224
ASN A 226
LYS A 227
 None
 1.22A 5x23A-5ixdA:
undetectable		 5x23A-5ixdA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ixm LPS-ASSEMBLY PROTEIN
LPTD

(Yersinia pestis) 		PF04453
(OstA_C) 		4 PRO A  75
GLY A  74
THR A  78
LYS A  80
 None
 1.16A 5x23A-5ixmA:
undetectable		 5x23A-5ixmA:
20.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jse PHIAB6 TAILSPIKE

(unidentified
phage) 		PF12708
(Pectate_lyase_3) 		4 GLY A 379
THR A 360
ASN A 380
LYS A 381
 None
 1.11A 5x23A-5jseA:
undetectable		 5x23A-5jseA:
20.17
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.
5jwz CELLULOSE-BINDING
FAMILY II

(Streptomyces
sp. SirexAA-E) 		PF02012
(BNR) 		4 PRO A 486
GLY A 487
THR A 488
ASN A 507
 None
 1.02A 5x23A-5jwzA:
undetectable		 5x23A-5jwzA:
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.
5kju SHIKIMATE
O-HYDROXYCINNAMOYLTR
ANSFERASE

(Arabidopsis
thaliana) 		PF02458
(Transferase) 		4 PRO A 220
GLY A 219
ASN A 222
LYS A 217
 None
 1.02A 5x23A-5kjuA:
undetectable		 5x23A-5kjuA:
22.18
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.
5lcw MITOTIC CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
BETA,MITOTIC
CHECKPOINT
SERINE/THREONINE-PRO
TEIN KINASE BUB1
BETA

(Homo sapiens) 		PF08311
(Mad3_BUB1_I) 		4 PRO S  74
GLY S  71
THR S  70
ASN S  72
 None
 1.13A 5x23A-5lcwS:
undetectable		 5x23A-5lcwS:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nbs BETA-GLUCOSIDASE

(Neurospora
crassa) 		no annotation 4 PRO A 422
GLY A 438
THR A 439
ASN A 423
 None
 1.22A 5x23A-5nbsA:
undetectable		 5x23A-5nbsA:
9.51
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.
5odr HETERODISULFIDE
REDUCTASE, SUBUNIT A

(Methanothermococcus
thermolithotrophicus) 		PF07992
(Pyr_redox_2)
PF13187
(Fer4_9) 		4 PRO A 190
THR A 188
ASN A 192
LYS A 187
 None
FAD  A 701 (-4.6A)
None
None
 1.23A 5x23A-5odrA:
undetectable		 5x23A-5odrA:
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.
5opt 40S RIBOSOMAL
PROTEIN SA

(Trypanosoma
cruzi) 		no annotation 4 GLY f  29
THR f  30
ASN f  50
LYS f  31
 None
 1.23A 5x23A-5optf:
undetectable		 5x23A-5optf:
18.71
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.
5ugf PURINE NUCLEOSIDE
PHOSPHORYLASE

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		4 PRO A  54
THR A  13
ASN A  12
LYS A  11
 None
 1.22A 5x23A-5ugfA:
undetectable		 5x23A-5ugfA:
18.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vbu CYTOCHROME P450
21-HYDROXYLASE

(Homo sapiens) 		PF00067
(p450) 		4 PRO A  58
GLY A  57
THR A  53
LYS A  55
 None
 1.23A 5x23A-5vbuA:
43.7		 5x23A-5vbuA:
32.26
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.
5w0m TERMINAL
URIDYLYLTRANSFERASE
7

(Homo sapiens) 		PF00098
(zf-CCHC)
PF03828
(PAP_assoc) 		4 PRO A1038
GLY A1039
THR A1040
LYS A1041
 None
 1.13A 5x23A-5w0mA:
undetectable		 5x23A-5w0mA:
24.17
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.
5x8o INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Trypanosoma
brucei) 		no annotation 4 PRO A 439
GLY A 438
THR A 380
LYS A 435
 None
 1.20A 5x23A-5x8oA:
undetectable		 5x23A-5x8oA:
10.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xu1 ABC TRANSPORTER
ATP-BINDING PROTEIN

(Streptococcus
pneumoniae) 		no annotation 4 GLY A 180
THR A 179
ASN A 181
LYS A 178
 None
 1.24A 5x23A-5xu1A:
undetectable		 5x23A-5xu1A:
10.68
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xxi CYTOCHROME P450 2C9

(Homo sapiens) 		no annotation 5 PRO A 227
GLY A 228
THR A 229
ASN A 231
LYS A 232
 LSN  A 502 (-3.7A)
LSN  A 502 (-3.4A)
LSN  A 502 (-3.9A)
LSN  A 502 (-4.3A)
LSN  A 502 (-2.9A)
 0.44A 5x23A-5xxiA:
63.7		 5x23A-5xxiA:
99.78
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.
5yti FLAGELLAR HOOK
ASSOCIATED PROTEIN
TYPE 3 FLGL

(Legionella
pneumophila) 		no annotation 4 PRO A 280
GLY A 204
THR A 205
ASN A 202
 None
 1.23A 5x23A-5ytiA:
undetectable		 5x23A-5ytiA:
10.11
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.
6f5u ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1

(Zaire
ebolavirus) 		no annotation 4 PRO A 146
GLY A 145
THR A 144
LYS A 114
 None
 1.23A 5x23A-6f5uA:
undetectable		 5x23A-6f5uA:
10.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 PRO A 545
GLY A 544
ASN A 497
LYS A 496
 None
 1.18A 5x23A-6fikA:
undetectable		 5x23A-6fikA:
8.88