SIMILAR PATTERNS OF AMINO ACIDS FOR 4C49_B_HCYB1384

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) 		5 SER A 129
VAL A 128
ILE A  57
ASN A  58
PHE A  82
 DFP  A 300 ( 1.5A)
None
None
None
None
 1.30A 4c49B-1at3A:
0.0		 4c49B-1at3A:
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.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 590
VAL A 563
THR A 526
ASN A  56
PHE A 528
 None
 1.48A 4c49B-1fepA:
1.2		 4c49B-1fepA:
19.15
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.
1hfh FACTOR H, 15TH AND
16TH C-MODULE PAIR

(Homo sapiens) 		PF00084
(Sushi) 		5 THR A  30
ARG A  20
ILE A  16
ASN A  17
SER A  33
 None
 1.42A 4c49B-1hfhA:
undetectable		 4c49B-1hfhA:
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.
1hg2 CLATHRIN ASSEMBLY
PROTEIN SHORT FORM

(Rattus
norvegicus) 		PF07651
(ANTH) 		5 SER A 185
PHE A  76
ILE A 193
ASN A 194
PHE A 123
 None
 1.45A 4c49B-1hg2A:
0.5		 4c49B-1hg2A:
20.78
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.
1hg8 ENDOPOLYGALACTURONAS
E

(Fusarium
verticillioides) 		PF00295
(Glyco_hydro_28) 		5 SER A 159
VAL A 132
ILE A 141
SER A 165
PHE A 154
 None
 1.49A 4c49B-1hg8A:
0.0		 4c49B-1hg8A:
23.08
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.
1hi2 EOSINOPHIL-DERIVED
NEUROTOXIN

(Homo sapiens) 		PF00074
(RnaseA) 		5 THR A  42
ILE A  30
ASN A  31
PHE A  43
HIS A  82
 None
 1.38A 4c49B-1hi2A:
0.0		 4c49B-1hi2A:
15.70
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.
1k38 BETA-LACTAMASE OXA-2

(Salmonella
enterica) 		PF00905
(Transpeptidase) 		5 SER A 147
GLN A 166
THR A  68
ASN A 143
PHE A  69
 None
 1.23A 4c49B-1k38A:
0.0		 4c49B-1k38A:
18.81
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.
1k7s FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 VAL N 287
THR N 181
PHE N 274
PHE N 238
HIS N 240
 None
 1.31A 4c49B-1k7sN:
undetectable		 4c49B-1k7sN:
21.85
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.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 SER A 129
VAL A 128
THR A  44
ILE A 102
PHE A 100
 None
 1.38A 4c49B-1kkhA:
0.0		 4c49B-1kkhA:
21.14
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.
1nsa PROCARBOXYPEPTIDASE
B

(Sus scrofa) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		5 VAL A  64
PHE A  37
ARG A  33
ILE A  35
HIS A  27
 None
 1.47A 4c49B-1nsaA:
undetectable		 4c49B-1nsaA:
21.56
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.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 VAL A 563
GLN A 494
ILE A 461
SER A 463
PHE A 487
 None
 1.48A 4c49B-1r8wA:
undetectable		 4c49B-1r8wA:
18.47
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.
1vbr ENDO-1,4-BETA-XYLANA
SE B

(Thermotoga
maritima) 		PF00331
(Glyco_hydro_10) 		5 SER A 650
VAL A 649
ILE A 692
ASN A 696
HIS A 724
 None
 1.44A 4c49B-1vbrA:
undetectable		 4c49B-1vbrA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vzv VARICELLA-ZOSTER
VIRUS PROTEASE

(Human
alphaherpesvirus
3) 		PF00716
(Peptidase_S21) 		5 SER A 120
VAL A 119
ILE A  48
ASN A  49
PHE A  73
 None
 1.34A 4c49B-1vzvA:
undetectable		 4c49B-1vzvA:
20.49
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.
1xrs D-LYSINE
5,6-AMINOMUTASE
ALPHA SUBUNIT

(Acetoanaerobium
sticklandii) 		PF09043
(Lys-AminoMut_A) 		5 VAL A 179
GLN A 401
THR A 396
ILE A 403
ASN A 294
 None
 1.48A 4c49B-1xrsA:
undetectable		 4c49B-1xrsA:
21.99
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.
1z5v TUBULIN GAMMA-1
CHAIN

(Homo sapiens) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 SER A 140
VAL A 171
GLN A 230
ILE A 228
SER A 226
 GSP  A2466 (-3.1A)
None
None
GSP  A2466 (-4.5A)
None
 1.28A 4c49B-1z5vA:
undetectable		 4c49B-1z5vA:
21.06
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.
2a9f PUTATIVE MALIC
ENZYME
((S)-MALATE:NAD+
OXIDOREDUCTASE
(DECARBOXYLATING))

(Streptococcus
pyogenes) 		PF00390
(malic)
PF03949
(Malic_M) 		5 SER A 185
VAL A 189
PHE A 286
ILE A 175
PHE A 262
 None
 1.01A 4c49B-2a9fA:
undetectable		 4c49B-2a9fA:
22.62
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.
2av9 THIOESTERASE

(Pseudomonas
aeruginosa) 		PF03061
(4HBT) 		5 VAL A  31
GLN A  16
THR A  42
ILE A  82
PHE A  39
 None
 1.34A 4c49B-2av9A:
undetectable		 4c49B-2av9A:
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.
2bo9 HUMAN LATEXIN

(Homo sapiens) 		PF06907
(Latexin) 		5 VAL B  58
PHE B  89
ILE B  21
ASN B  22
PHE B  91
 None
 1.38A 4c49B-2bo9B:
undetectable		 4c49B-2bo9B:
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.
2dwz 26S PROTEASE
REGULATORY SUBUNIT
6B

(Rattus
norvegicus) 		no annotation 5 SER B 371
THR B 349
PHE B 399
ILE B 378
PHE B 345
 None
 1.39A 4c49B-2dwzB:
undetectable		 4c49B-2dwzB:
12.53
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.
2e7t BASIC AGGLUTININ

(Psophocarpus
tetragonolobus) 		PF00139
(Lectin_legB) 		5 SER A 201
VAL A  57
THR A  70
PHE A  91
ILE A  93
 None
 1.44A 4c49B-2e7tA:
undetectable		 4c49B-2e7tA:
21.58
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.
2k8q PROTEIN SHQ1

(Saccharomyces
cerevisiae) 		no annotation 5 SER A  69
THR A   3
PHE A  42
ILE A  74
ASN A  75
 None
 1.42A 4c49B-2k8qA:
undetectable		 4c49B-2k8qA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nvu MALTOSE BINDING
PROTEIN/NEDD8-ACTIVA
TING ENZYME E1
CATALYTIC SUBUNIT
CHIMERA
NEDD8-CONJUGATING
ENZYME UBC12

(Homo sapiens) 		PF00179
(UQ_con)
PF00899
(ThiF)
PF08825
(E2_bind)
PF13416
(SBP_bac_8) 		5 SER B2396
PHE C  80
ILE C 125
ASN C 126
PHE C  60
 None
 1.31A 4c49B-2nvuB:
undetectable		 4c49B-2nvuB:
18.19
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.
2r0b SERINE/THREONINE/TYR
OSINE-INTERACTING
PROTEIN

(Homo sapiens) 		PF00782
(DSPc) 		5 THR A 102
PHE A 130
ILE A  95
ASN A  94
PHE A  99
 None
 1.29A 4c49B-2r0bA:
undetectable		 4c49B-2r0bA:
18.28
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.
2r0q PUTATIVE TRANSPOSON
TN552 DNA-INVERTASE
BIN3

(Staphylococcus
aureus) 		PF00239
(Resolvase)
PF02796
(HTH_7) 		5 SER C  63
VAL C  61
GLN C  47
ARG C  66
HIS C  76
 None
 1.43A 4c49B-2r0qC:
undetectable		 4c49B-2r0qC:
20.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		7 VAL A  17
GLN A 224
THR A 232
PHE A 234
ARG A 252
ILE A 255
PHE A 357
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
HCY  A1375 (-4.9A)
None
HCY  A1375 ( 4.1A)
 0.74A 4c49B-2v95A:
39.0		 4c49B-2v95A:
61.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2v95 CORTICOSTEROID-BINDI
NG GLOBULIN

(Rattus
norvegicus) 		PF00079
(Serpin) 		7 VAL A  17
GLN A 224
THR A 232
PHE A 234
ILE A 255
PHE A 357
TRP A 362
 HCY  A1375 ( 4.8A)
HCY  A1375 (-3.5A)
HCY  A1375 ( 4.2A)
HCY  A1375 (-4.8A)
None
HCY  A1375 ( 4.1A)
HCY  A1375 (-3.8A)
 0.52A 4c49B-2v95A:
39.0		 4c49B-2v95A:
61.39
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.
2ve3 PUTATIVE CYTOCHROME
P450 120

(Synechocystis
sp. PCC 6803) 		PF00067
(p450) 		5 SER A 429
THR A  26
PHE A  52
SER A  83
PHE A  29
 REA  A1445 ( 4.3A)
None
None
None
REA  A1445 (-4.6A)
 1.29A 4c49B-2ve3A:
undetectable		 4c49B-2ve3A:
23.71
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.
2vj5 PROTEIN MXIC

(Shigella
flexneri) 		PF07201
(HrpJ) 		5 SER A 319
VAL A 320
GLN A 287
ILE A 285
PHE A 328
 None
 1.45A 4c49B-2vj5A:
undetectable		 4c49B-2vj5A:
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE

(Nipah
henipavirus) 		PF00423
(HN) 		5 SER A 411
VAL A 367
THR A 308
ILE A 304
PHE A 369
 None
 1.19A 4c49B-2vsmA:
undetectable		 4c49B-2vsmA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wsu PUTATIVE FIBER
PROTEIN

(Porcine
mastadenovirus
B) 		PF00337
(Gal-bind_lectin) 		5 VAL A 497
THR A 422
ILE A 448
PHE A 436
HIS A 435
 None
 1.23A 4c49B-2wsuA:
undetectable		 4c49B-2wsuA:
24.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x7j 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE
-1-CARBOXYLATE
SYNTHASE

(Bacillus
subtilis) 		PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N)
PF16582
(TPP_enzyme_M_2) 		5 VAL A 394
ILE A 424
ASN A 256
SER A 255
PHE A 415
 None
 1.38A 4c49B-2x7jA:
undetectable		 4c49B-2x7jA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 PHE A 285
ILE A 237
ASN A 238
SER A 241
PHE A 281
 None
 1.42A 4c49B-2xaxA:
undetectable		 4c49B-2xaxA:
19.73
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 THR A 276
PHE A 281
ILE A 237
ASN A 238
PHE A 274
 None
 1.28A 4c49B-2xaxA:
undetectable		 4c49B-2xaxA:
19.73
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.
2xf8 D-ERYTHROSE-4-PHOSPH
ATE DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 VAL A 172
GLN A 220
PHE A 221
ILE A 158
PHE A 225
 None
 1.38A 4c49B-2xf8A:
undetectable		 4c49B-2xf8A:
22.56
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.
2yky BETA-TRANSAMINASE

(Mesorhizobium
sp. LUK) 		PF00202
(Aminotran_3) 		5 SER A 287
GLN A 331
THR A 330
ILE A 101
HIS A 326
 None
 1.19A 4c49B-2ykyA:
undetectable		 4c49B-2ykyA:
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.
2zj9 AMPC

(Escherichia
coli) 		PF00144
(Beta-lactamase) 		5 GLN A 172
THR A 176
ILE A 189
ASN A 190
PHE A 179
 None
 1.33A 4c49B-2zj9A:
undetectable		 4c49B-2zj9A:
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 VAL A1463
PHE A1506
ARG A1493
ILE A1496
ASN A1497
 None
 1.09A 4c49B-2zxqA:
undetectable		 4c49B-2zxqA:
14.33
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.
3afl OLIGO ALGINATE LYASE

(Agrobacterium
fabrum) 		PF07940
(Hepar_II_III)
PF16332
(DUF4962) 		5 SER A 650
GLN A 656
THR A 721
ILE A 578
ASN A 623
 None
 1.32A 4c49B-3aflA:
undetectable		 4c49B-3aflA:
19.74
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.
3bqw PUTATIVE CAPSID
PROTEIN OF PROPHAGE

(Escherichia
coli) 		PF03864
(Phage_cap_E) 		5 SER A 249
VAL A 248
THR A 287
PHE A  35
ILE A 208
 None
 1.45A 4c49B-3bqwA:
undetectable		 4c49B-3bqwA:
22.09
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE

(Homo sapiens) 		PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2) 		5 SER A 541
THR A 405
SER A 551
PHE A 404
HIS A 406
 None
 1.45A 4c49B-3ibjA:
undetectable		 4c49B-3ibjA:
19.71
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.
3l1c KINESIN-14 NCD

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		5 SER A 416
VAL A 415
ILE A 411
SER A 406
PHE A 644
 None
 1.46A 4c49B-3l1cA:
undetectable		 4c49B-3l1cA:
23.22
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 SER A 237
PHE A 306
ILE A 162
SER A 163
PHE A 158
 None
 1.48A 4c49B-3mn3A:
undetectable		 4c49B-3mn3A:
22.74
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		5 SER A 177
VAL A 161
ILE A 139
SER A 120
TRP A 156
 None
 1.47A 4c49B-3pmoA:
undetectable		 4c49B-3pmoA:
21.25
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.
3poy NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		5 SER A 528
VAL A 601
THR A 533
ILE A 540
PHE A 531
 None
 1.43A 4c49B-3poyA:
undetectable		 4c49B-3poyA:
18.38
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.
3qnb OXACILLINASE

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 147
GLN A 166
THR A  68
ASN A 143
PHE A  69
 None
 1.29A 4c49B-3qnbA:
undetectable		 4c49B-3qnbA:
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.
3qxf ENDOGLUCANASE

(Escherichia
coli) 		PF01270
(Glyco_hydro_8) 		5 SER A 115
VAL A 119
GLN A 189
THR A 192
PHE A 191
 None
 1.35A 4c49B-3qxfA:
undetectable		 4c49B-3qxfA:
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		5 SER A 535
GLN A 493
ILE A 486
ASN A 485
PHE A 516
 None
 1.29A 4c49B-3t6qA:
undetectable		 4c49B-3t6qA:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ti2 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Vibrio cholerae) 		PF00275
(EPSP_synthase) 		5 SER A  23
VAL A  24
THR A  39
ARG A  27
PHE A 238
 None
None
None
CL  A   1 ( 3.0A)
None
 1.45A 4c49B-3ti2A:
undetectable		 4c49B-3ti2A:
23.95
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.
3wlw ANTIBODY L CHAIN

(Homo sapiens) 		no annotation 5 SER L  11
VAL L  10
PHE L  64
ILE L  77
HIS L  41
 None
 1.39A 4c49B-3wlwL:
undetectable		 4c49B-3wlwL:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zpm LATHERIN

(Equus caballus) 		PF01273
(LBP_BPI_CETP) 		5 SER A  93
VAL A  94
GLN A  43
THR A  39
ILE A 159
 None
 1.40A 4c49B-3zpmA:
undetectable		 4c49B-3zpmA:
22.25
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.
4a22 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Mycobacterium
tuberculosis) 		PF01116
(F_bP_aldolase) 		5 SER A  31
VAL A  34
THR A  94
PHE A 125
PHE A  52
 None
None
NA  A1347 (-3.6A)
None
None
 1.32A 4c49B-4a22A:
undetectable		 4c49B-4a22A:
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.
4a2y EOSINOPHIL CATIONIC
PROTEIN

(Homo sapiens) 		PF00074
(RnaseA) 		5 THR A  42
ILE A  30
ASN A  31
PHE A  43
HIS A  82
 None
 1.44A 4c49B-4a2yA:
undetectable		 4c49B-4a2yA:
15.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 GLN A 232
THR A 240
PHE A 242
ASN A 264
SER A 267
 None
 0.90A 4c49B-4c41A:
58.8		 4c49B-4c41A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 SER A  19
VAL A  22
GLN A 232
PHE A 242
PHE A 366
 None
 0.72A 4c49B-4c41A:
58.8		 4c49B-4c41A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		6 VAL A  22
GLN A 232
PHE A 242
ILE A 263
PHE A 366
HIS A 368
 None
 1.11A 4c49B-4c41A:
58.8		 4c49B-4c41A:
99.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c41 CORTICOSTEROID-BINDI
NG GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		7 VAL A  22
GLN A 232
THR A 240
PHE A 242
ILE A 263
ASN A 264
PHE A 366
 None
 0.72A 4c49B-4c41A:
58.8		 4c49B-4c41A:
99.46
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.
4f5x RNA-DIRECTED RNA
POLYMERASE

(Rotavirus A) 		PF02123
(RdRP_4)
PF12289
(Rotavirus_VP1) 		5 SER W 140
THR W 727
ILE W 211
ASN W 208
PHE W 731
 None
 1.38A 4c49B-4f5xW:
undetectable		 4c49B-4f5xW:
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.
4fkz UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Bacillus
subtilis) 		PF02350
(Epimerase_2) 		5 SER A  34
VAL A  36
ILE A  55
PHE A  10
HIS A  96
 None
 1.42A 4c49B-4fkzA:
undetectable		 4c49B-4fkzA:
22.94
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.
4gn2 OXACILLINASE

(Pseudomonas
aeruginosa) 		PF00905
(Transpeptidase) 		5 SER A 144
GLN A 169
THR A  64
ASN A 140
PHE A  65
 None
 1.32A 4c49B-4gn2A:
undetectable		 4c49B-4gn2A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kw5 OXIDOREDUCTASE

(Mycobacterium
tuberculosis) 		PF01565
(FAD_binding_4)
PF04030
(ALO) 		5 VAL A 388
THR A 212
ILE A 351
PHE A 231
HIS A 216
 None
 1.48A 4c49B-4kw5A:
undetectable		 4c49B-4kw5A:
21.75
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.
4l1y SALIVARY NITROPHORIN

(Cimex
lectularius) 		no annotation 5 SER A 157
THR A  11
PHE A 278
ILE A 255
PHE A 167
 None
 1.43A 4c49B-4l1yA:
undetectable		 4c49B-4l1yA:
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.
4lcb CELL DIVISION
PROTEIN CDVC, VPS4

(Acidianus
hospitalis) 		PF00004
(AAA)
PF09336
(Vps4_C) 		5 SER A 301
THR A 280
PHE A 336
ILE A 308
PHE A 276
 None
 1.46A 4c49B-4lcbA:
undetectable		 4c49B-4lcbA:
21.61
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.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 VAL A 216
ILE A 252
ASN A 255
SER A 253
HIS A 249
 None
None
None
NAG  A 803 (-2.3A)
None
 1.39A 4c49B-4m7eA:
undetectable		 4c49B-4m7eA:
21.58
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		5 SER A 147
GLN A 172
THR A  68
ASN A 143
PHE A  69
 None
 1.33A 4c49B-4mllA:
undetectable		 4c49B-4mllA:
23.86
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 THR A 603
ILE A 606
ASN A 609
SER A 607
PHE A 604
 None
 1.37A 4c49B-4mn8A:
undetectable		 4c49B-4mn8A:
19.49
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.
4mna LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 THR A 603
ILE A 606
ASN A 609
SER A 607
PHE A 604
 None
None
None
NAG  A 902 (-2.9A)
None
 1.41A 4c49B-4mnaA:
undetectable		 4c49B-4mnaA:
20.57
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.
4mt1 DRUG EFFLUX PROTEIN

(Neisseria
gonorrhoeae) 		PF00873
(ACR_tran) 		5 SER A1025
VAL A1026
PHE A 517
ILE A 983
PHE A 979
 None
 1.45A 4c49B-4mt1A:
undetectable		 4c49B-4mt1A:
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.
4nat PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE

(Staphylococcus
aureus) 		PF01467
(CTP_transf_like) 		5 SER A  11
VAL A  37
GLN A  58
ILE A  56
SER A  59
 ADP  A 203 (-3.0A)
None
None
None
None
 1.49A 4c49B-4natA:
undetectable		 4c49B-4natA:
19.03
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.
4s3l MAJOR PILIN PROTEIN

(Streptococcus
pneumoniae) 		no annotation 5 SER A 337
PHE A 305
ILE A 244
ASN A 371
PHE A 261
 None
 1.37A 4c49B-4s3lA:
undetectable		 4c49B-4s3lA:
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.
4xn3 TAIL SPIKE PROTEIN

(Salmonella
virus HK620) 		no annotation 5 SER A 629
VAL A 628
ILE A 587
SER A 585
PHE A 616
 None
 1.43A 4c49B-4xn3A:
undetectable		 4c49B-4xn3A:
22.50
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.
5aee ALPHA-GLUCOSIDASE
YIHQ

(Escherichia
coli) 		PF01055
(Glyco_hydro_31) 		5 SER A  73
VAL A  72
ILE A  95
ASN A  94
PHE A  13
 None
 1.39A 4c49B-5aeeA:
undetectable		 4c49B-5aeeA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5b3f PHOSPHORIBULOKINASE/
URIDINE KINASE

(Methanospirillum
hungatei) 		PF00485
(PRK) 		5 THR A 282
PHE A  41
ARG A  35
ILE A  37
SER A 307
 None
 1.47A 4c49B-5b3fA:
undetectable		 4c49B-5b3fA:
23.74
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.
5ctm BETA-LACTAMASE

(Bacillus
pumilus) 		PF00905
(Transpeptidase) 		5 SER A 181
GLN A 200
THR A 102
ASN A 177
PHE A 103
 None
 1.36A 4c49B-5ctmA:
undetectable		 4c49B-5ctmA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		5 SER A 263
VAL A 265
THR A 159
PHE A 136
ILE A 137
 None
 1.44A 4c49B-5d5tA:
undetectable		 4c49B-5d5tA:
20.51
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.
5d9a POLYMERASE BASIC
PROTEIN 2

(Influenza C
virus) 		PF00604
(Flu_PB2) 		5 SER C 317
VAL C 320
THR C 295
ARG C 267
ILE C 266
 None
 1.38A 4c49B-5d9aC:
undetectable		 4c49B-5d9aC:
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.
5e13 NON-SECRETORY
RIBONUCLEASE

(Homo sapiens) 		PF00074
(RnaseA) 		5 THR A  42
ILE A  30
ASN A  31
PHE A  43
HIS A  82
 None
 1.40A 4c49B-5e13A:
undetectable		 4c49B-5e13A:
17.15
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.
5eqv BIFUNCTIONAL
2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
PERIPLASMIC
PRECURSOR PROTEIN

(Yersinia pestis) 		PF00149
(Metallophos) 		5 VAL A 150
ILE A 122
ASN A 121
PHE A 127
HIS A 125
 None
None
None
None
PO4  A 405 ( 3.9A)
 1.22A 4c49B-5eqvA:
undetectable		 4c49B-5eqvA:
23.06
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		5 SER C 496
THR C 136
ILE C 420
PHE C 158
HIS C 272
 None
 1.41A 4c49B-5fseC:
undetectable		 4c49B-5fseC:
19.87
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 VAL A 187
GLN A 105
ILE A 107
ASN A 110
SER A 109
 None
 1.38A 4c49B-5fubA:
undetectable		 4c49B-5fubA:
24.88
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.
5idu ACYL-COA
DEHYDROGENASE DOMAIN
PROTEIN

(Paraburkholderia
phymatum) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 SER A 127
VAL A 126
GLN A 233
ILE A 110
PHE A 177
 None
 1.23A 4c49B-5iduA:
undetectable		 4c49B-5iduA:
20.09
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.
5j72 PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE
AMIDASE,AUTOLYSIN
CWP6

(Clostridioides
difficile) 		PF01520
(Amidase_3)
PF04122
(CW_binding_2) 		5 VAL A 424
THR A 403
ILE A 436
ASN A 437
SER A 434
 None
 1.18A 4c49B-5j72A:
undetectable		 4c49B-5j72A:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 VAL A1587
GLN A 773
THR A1607
ILE A1613
SER A1614
 None
 1.46A 4c49B-5jbeA:
undetectable		 4c49B-5jbeA:
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.
5m11 IMMUNOREACTIVE 84KD
ANTIGEN PG93

(Porphyromonas
gingivalis) 		no annotation 5 SER A 296
THR A 280
PHE A 282
SER A 317
PHE A 272
 None
 1.47A 4c49B-5m11A:
undetectable		 4c49B-5m11A:
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER A 223
GLN A 213
ILE A 235
PHE A 210
TRP A 289
 None
 1.47A 4c49B-5m2nA:
undetectable		 4c49B-5m2nA:
19.22
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.
5m2n ELONGATOR COMPLEX
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER A 223
ILE A 235
PHE A 210
HIS A 212
TRP A 289
 None
 1.37A 4c49B-5m2nA:
undetectable		 4c49B-5m2nA:
19.22
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.
5nks DIHYDROPYRIMIDINASE-
RELATED PROTEIN 4

(Homo sapiens) 		no annotation 5 SER A 385
GLN A 196
THR A 253
ILE A 391
HIS A  73
 SER  A 385 ( 0.0A)
GLN  A 196 ( 0.6A)
THR  A 253 ( 0.8A)
ILE  A 391 ( 0.6A)
HIS  A  73 ( 1.0A)
 1.33A 4c49B-5nksA:
undetectable		 4c49B-5nksA:
22.46
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.
5t9p RIBOSOME BIOGENESIS
PROTEIN 15

(Saccharomyces
cerevisiae) 		no annotation 5 SER B  96
VAL B  95
GLN B 113
PHE B 114
PHE B 111
 CL  B 206 ( 4.6A)
None
None
None
None
 1.38A 4c49B-5t9pB:
undetectable		 4c49B-5t9pB:
19.09
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.
5ttd MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PILIN
ISOPEPTIDE LINKAGE
DOMAIN PROTEIN

(Escherichia
coli;
Streptococcus
pyogenes) 		PF12892
(FctA)
PF13416
(SBP_bac_8) 		5 THR A 457
PHE A 459
ILE A 490
SER A 488
PHE A 492
 None
 1.39A 4c49B-5ttdA:
undetectable		 4c49B-5ttdA:
21.33
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.
5w25 ASPARTATE--TRNA(ASP/
ASN) LIGASE

(Mycobacterium
tuberculosis) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon)
PF02938
(GAD) 		5 SER A  72
VAL A  73
ILE A  37
PHE A  50
HIS A  63
 None
 1.48A 4c49B-5w25A:
0.9		 4c49B-5w25A:
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.
5yww NUCLEOTIDE BINDING
PROTEIN PINC

(Sulfolobus
islandicus) 		no annotation 5 SER A 168
VAL A 171
ARG A 172
ILE A 209
SER A 197
 None
 1.36A 4c49B-5ywwA:
undetectable		 4c49B-5ywwA:
12.24
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.
5znn SORTILIN

(Mus musculus) 		no annotation 5 SER A 478
VAL A 486
ILE A 413
SER A 415
HIS A 461
 None
 1.20A 4c49B-5znnA:
undetectable		 4c49B-5znnA:
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.
6bqw BACTERIAL ACTIN ALFA

(Bacillus
subtilis) 		no annotation 5 SER A 189
VAL A 176
ILE A 215
ASN A 214
PHE A 208
 None
 1.34A 4c49B-6bqwA:
undetectable		 4c49B-6bqwA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6etz BETA-GALACTOSIDASE

(Arthrobacter
sp. 32cB) 		no annotation 5 SER A  59
THR A 168
ILE A 214
PHE A 149
HIS A 175
 ACT  A1104 (-4.6A)
None
None
None
None
 1.33A 4c49B-6etzA:
undetectable		 4c49B-6etzA:
12.57