SIMILAR PATTERNS OF AMINO ACIDS FOR 6ESM_A_PZEA307_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ck7 PROTEIN (GELATINASE
A)

(Homo sapiens) 		PF00040
(fn2)
PF00045
(Hemopexin)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 TYR A 182
HIS A 193
PHE A 195
 None
ZN  A 991 ( 3.1A)
None
 0.28A 6esmA-1ck7A:
28.0		 6esmA-1ck7A:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1eak 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 TYR A 182
HIS A 193
PHE A 195
 None
ZN  A 996 (-3.1A)
None
 0.26A 6esmA-1eakA:
27.6		 6esmA-1eakA:
33.33
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.
1gzv GLUCOSE-6-PHOSPHATE
ISOMERASE

(Sus scrofa) 		PF00342
(PGI) 		3 TYR A 143
HIS A 241
PHE A 228
 None
 1.07A 6esmA-1gzvA:
undetectable		 6esmA-1gzvA:
10.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h79 ANAEROBIC
RIBONUCLEOTIDE-TRIPH
OSPHATE REDUCTASE
LARGE CHAIN

(Escherichia
virus T4) 		PF13597
(NRDD) 		3 TYR A 533
HIS A 504
PHE A 293
 None
 0.98A 6esmA-1h79A:
undetectable		 6esmA-1h79A:
9.20
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.
1hv6 ALGINATE LYASE

(Sphingomonas
sp.) 		PF05426
(Alginate_lyase) 		3 TYR A 269
HIS A 279
PHE A 325
 None
 0.96A 6esmA-1hv6A:
undetectable		 6esmA-1hv6A:
12.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l6j MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00040
(fn2)
PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 TYR A 179
HIS A 190
PHE A 192
 None
ZN  A 501 (-3.4A)
None
 0.32A 6esmA-1l6jA:
26.4		 6esmA-1l6jA:
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.
1nrk YGFZ PROTEIN

(Escherichia
coli) 		PF01571
(GCV_T) 		3 TYR A 322
HIS A 156
PHE A 198
 None
 1.01A 6esmA-1nrkA:
undetectable		 6esmA-1nrkA:
13.62
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.
1pem RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 2
ALPHA CHAIN

(Salmonella
enterica) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF08343
(RNR_N) 		3 TYR A 109
HIS A  48
PHE A  44
 None
 0.97A 6esmA-1pemA:
undetectable		 6esmA-1pemA:
7.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qib 72 KDA TYPE IV
COLLAGENASE

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 TYR A 155
HIS A 166
PHE A 168
 None
ZN  A 502 (-3.5A)
None
 0.14A 6esmA-1qibA:
27.7		 6esmA-1qibA:
58.75
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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		3 TYR A  40
HIS A 228
PHE A  28
 None
FEO  A 401 (-3.3A)
None
 1.05A 6esmA-1vmeA:
2.8		 6esmA-1vmeA:
10.84
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.
1wiw GLUCOSE-6-PHOSPHATE
ISOMERASE LIKE
PROTEIN

(Thermus
thermophilus) 		PF10432
(bact-PGI_C) 		3 TYR A  35
HIS A  39
PHE A  66
 None
 1.07A 6esmA-1wiwA:
undetectable		 6esmA-1wiwA:
12.68
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.
1wkb LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 TYR A 109
HIS A  48
PHE A 129
 None
 0.94A 6esmA-1wkbA:
undetectable		 6esmA-1wkbA:
8.10
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.
1wz2 LEUCYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		3 TYR A 109
HIS A  48
PHE A 129
 None
 1.00A 6esmA-1wz2A:
undetectable		 6esmA-1wz2A:
7.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xb0 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 8

(Homo sapiens) 		PF00653
(BIR) 		3 TYR A 329
HIS A 302
PHE A 301
 None
ZN  A 401 (-3.6A)
None
 0.95A 6esmA-1xb0A:
undetectable		 6esmA-1xb0A:
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.
1xi8 MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN

(Pyrococcus
furiosus) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		3 TYR A 396
HIS A 308
PHE A 304
 None
 0.85A 6esmA-1xi8A:
3.6		 6esmA-1xi8A:
11.33
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.
1xpg 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		3 TYR A 232
HIS A 251
PHE A   6
 None
 0.53A 6esmA-1xpgA:
undetectable		 6esmA-1xpgA:
7.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		3 TYR A  37
HIS A 228
PHE A  24
 None
FEO  A 501 ( 3.1A)
EDO  A 602 (-3.8A)
 0.74A 6esmA-1ycgA:
undetectable		 6esmA-1ycgA:
13.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zo1 TRANSLATION
INITIATION FACTOR 2

(Escherichia
coli) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		3 TYR I 353
HIS I 368
PHE I 366
 None
 0.90A 6esmA-1zo1I:
undetectable		 6esmA-1zo1I:
9.70
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.
2aco OUTER MEMBRANE
LIPOPROTEIN BLC

(Escherichia
coli) 		PF08212
(Lipocalin_2) 		3 TYR A 137
HIS A  51
PHE A  53
 None
 0.93A 6esmA-2acoA:
undetectable		 6esmA-2acoA:
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.
2be1 SERINE/THREONINE-PRO
TEIN
KINASE/ENDORIBONUCLE
ASE IRE1

(Saccharomyces
cerevisiae) 		no annotation 3 TYR A 420
HIS A 446
PHE A 182
 None
 0.79A 6esmA-2be1A:
undetectable		 6esmA-2be1A:
15.93
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.
2cr6 KIAA1556 PROTEIN

(Homo sapiens) 		PF07679
(I-set) 		3 TYR A  42
HIS A  70
PHE A  87
 None
 1.03A 6esmA-2cr6A:
undetectable		 6esmA-2cr6A:
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.
2cxn GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mus musculus) 		PF00342
(PGI) 		3 TYR A 144
HIS A 242
PHE A 229
 None
 1.05A 6esmA-2cxnA:
undetectable		 6esmA-2cxnA:
9.67
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.
2ess ACYL-ACP
THIOESTERASE

(Bacteroides
thetaiotaomicron) 		PF01643
(Acyl-ACP_TE) 		3 TYR A 137
HIS A  41
PHE A  47
 None
None
MPD  A 252 ( 4.8A)
 0.97A 6esmA-2essA:
undetectable		 6esmA-2essA:
20.18
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.
2ixo SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
ACTIVATOR 1

(Saccharomyces
cerevisiae) 		PF03095
(PTPA) 		3 TYR A 144
HIS A 207
PHE A 208
 None
 0.96A 6esmA-2ixoA:
undetectable		 6esmA-2ixoA:
14.19
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.
2jbr P-HYDROXYPHENYLACETA
TE HYDROXYLASE C2
OXYGENASE COMPONENT

(Acinetobacter
baumannii) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		3 TYR A 398
HIS A 396
PHE A 270
 None
 1.07A 6esmA-2jbrA:
undetectable		 6esmA-2jbrA:
12.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jk7 BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 4

(Homo sapiens) 		PF00653
(BIR) 		3 TYR A 329
HIS A 302
PHE A 301
 None
 0.92A 6esmA-2jk7A:
undetectable		 6esmA-2jk7A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2lkm MORTALITY FACTOR
4-LIKE PROTEIN 1

(Homo sapiens) 		PF05712
(MRG) 		3 TYR B 318
HIS B 319
PHE B 237
 None
 0.87A 6esmA-2lkmB:
undetectable		 6esmA-2lkmB:
19.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 TYR A 120
HIS A 117
PHE A 268
 None
C2O  A 340 (-3.5A)
C2O  A 340 ( 4.7A)
 1.06A 6esmA-2p3xA:
undetectable		 6esmA-2p3xA:
13.82
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.
2p5z TYPE VI SECRETION
SYSTEM COMPONENT

(Escherichia
coli) 		PF05954
(Phage_GPD) 		3 TYR X 356
HIS X  15
PHE X  31
 None
 0.95A 6esmA-2p5zX:
undetectable		 6esmA-2p5zX:
12.02
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		3 TYR A 373
HIS A 494
PHE A 490
 None
 0.91A 6esmA-2pggA:
undetectable		 6esmA-2pggA:
7.34
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.
2q9u A-TYPE FLAVOPROTEIN

(Giardia
intestinalis) 		no annotation 3 TYR A  41
HIS A 230
PHE A  30
 None
FEO  A 701 ( 3.3A)
NO3  A 501 (-4.7A)
 0.98A 6esmA-2q9uA:
2.3		 6esmA-2q9uA:
12.12
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.
2qyb MEMBRANE PROTEIN,
PUTATIVE

(Geobacter
sulfurreducens) 		PF13185
(GAF_2) 		3 TYR A  72
HIS A 110
PHE A 108
 None
 0.91A 6esmA-2qybA:
undetectable		 6esmA-2qybA:
18.95
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.
2wjz IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
SUBUNIT HISH

(Thermotoga
maritima) 		PF00117
(GATase) 		3 TYR B  43
HIS B  73
PHE B  69
 None
 0.84A 6esmA-2wjzB:
2.5		 6esmA-2wjzB:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wok CLAVULANIC ACID
BIOSYNTHESIS
OLIGOPEPTIDE BINDING
PROTEIN 2

(Streptomyces
clavuligerus) 		PF00496
(SBP_bac_5) 		3 TYR A  70
HIS A 545
PHE A 548
 GOL  A1561 (-4.5A)
None
GOL  A1561 (-4.1A)
 0.87A 6esmA-2wokA:
undetectable		 6esmA-2wokA:
9.30
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.
2xt0 HALOALKANE
DEHALOGENASE

(Plesiocystis
pacifica) 		PF00561
(Abhydrolase_1) 		3 TYR A  96
HIS A 101
PHE A  84
 None
 1.06A 6esmA-2xt0A:
undetectable		 6esmA-2xt0A:
16.60
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.
2y6c MATRILYSIN

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 TYR A 172
HIS A 183
PHE A 185
 None
ZN  A1266 ( 3.3A)
None
 0.35A 6esmA-2y6cA:
25.8		 6esmA-2y6cA:
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.
2y9x POLYPHENOL OXIDASE

(Agaricus
bisporus) 		PF00264
(Tyrosinase) 		3 TYR A  97
HIS A 296
PHE A 292
 None
CU  A 401 (-3.2A)
CU  A 401 ( 4.9A)
 1.06A 6esmA-2y9xA:
undetectable		 6esmA-2y9xA:
10.05
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.
2yia RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		3 TYR A 356
HIS A 481
PHE A 477
 None
 1.05A 6esmA-2yiaA:
undetectable		 6esmA-2yiaA:
9.24
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.
2yib RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		3 TYR D 356
HIS D 481
PHE D 477
 None
 1.03A 6esmA-2yibD:
undetectable		 6esmA-2yibD:
9.24
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.
3ahx BETA-GLUCOSIDASE A

(Clostridium
cellulovorans) 		PF00232
(Glyco_hydro_1) 		3 TYR A  61
HIS A  57
PHE A 100
 None
 0.99A 6esmA-3ahxA:
undetectable		 6esmA-3ahxA:
13.12
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.
3c8j NATURAL KILLER CELL
RECEPTOR LY49C

(Mus musculus) 		PF00059
(Lectin_C)
PF08391
(Ly49) 		3 TYR A 151
HIS A 189
PHE A 185
 None
 1.01A 6esmA-3c8jA:
undetectable		 6esmA-3c8jA:
16.58
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		3 TYR A  86
HIS A  79
PHE A 395
 None
 1.01A 6esmA-3dduA:
undetectable		 6esmA-3dduA:
7.66
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.
3doo SHIKIMATE
DEHYDROGENASE

(Staphylococcus
epidermidis) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		3 TYR A  32
HIS A  20
PHE A  23
 None
 0.99A 6esmA-3dooA:
undetectable		 6esmA-3dooA:
17.10
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.
3euk CHROMOSOME PARTITION
PROTEIN MUKE

([Haemophilus]
ducreyi) 		PF04288
(MukE) 		3 TYR L  73
HIS L  34
PHE L  71
 None
 1.00A 6esmA-3eukL:
undetectable		 6esmA-3eukL:
16.03
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.
3ez9 PARA

(Salmonella
enterica) 		PF13614
(AAA_31) 		3 TYR A 102
HIS A 143
PHE A 390
 None
 0.96A 6esmA-3ez9A:
undetectable		 6esmA-3ez9A:
11.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3feu PUTATIVE LIPOPROTEIN

(Aliivibrio
fischeri) 		PF13462
(Thioredoxin_4) 		3 TYR A  70
HIS A  56
PHE A  27
 None
 0.97A 6esmA-3feuA:
undetectable		 6esmA-3feuA:
20.11
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.
3fsn RETINAL PIGMENT
EPITHELIUM-SPECIFIC
65 KDA PROTEIN

(Bos taurus) 		PF03055
(RPE65) 		3 TYR A 338
HIS A  59
PHE A 103
 None
 0.85A 6esmA-3fsnA:
undetectable		 6esmA-3fsnA:
9.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ksw STEROL 14-ALPHA
DEMETHYLASE

(Trypanosoma
cruzi) 		PF00067
(p450) 		3 TYR A  35
HIS A  44
PHE A  55
 None
 0.98A 6esmA-3kswA:
undetectable		 6esmA-3kswA:
11.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		3 TYR A 142
HIS A 239
PHE A 226
 None
 1.04A 6esmA-3nbuA:
undetectable		 6esmA-3nbuA:
10.09
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o2x COLLAGENASE 3

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 TYR A1176
HIS A1187
PHE A1189
 EPE  A 400 ( 4.1A)
ZN  A1998 ( 3.2A)
EPE  A 400 (-3.9A)
 0.22A 6esmA-3o2xA:
28.2		 6esmA-3o2xA:
53.75
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4

(Thermotoga
neapolitana) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		3 TYR A 276
HIS A 277
PHE A 287
 None
 1.06A 6esmA-3u95A:
undetectable		 6esmA-3u95A:
11.22
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.
3w53 BETA-GLUCOSIDASE

(Micrococcus
antarcticus) 		PF00232
(Glyco_hydro_1) 		3 TYR A  66
HIS A  62
PHE A 104
 None
 0.95A 6esmA-3w53A:
undetectable		 6esmA-3w53A:
10.08
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.
3zjk BETA GLYCOSIDASE

(Thermus
thermophilus) 		PF00232
(Glyco_hydro_1) 		3 TYR A  59
HIS A  55
PHE A  98
 None
 0.93A 6esmA-3zjkA:
undetectable		 6esmA-3zjkA:
11.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3q ALANINE RACEMASE 1

(Staphylococcus
aureus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		3 TYR A 198
HIS A 200
PHE A  61
 None
 1.06A 6esmA-4a3qA:
undetectable		 6esmA-4a3qA:
11.88
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.
4bed HEMOCYANIN KLH1

(Megathura
crenulata) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		3 TYR B2153
HIS B2150
PHE B2287
 None
CUO  B9006 (-3.3A)
CUO  B9006 (-4.7A)
 1.06A 6esmA-4bedB:
undetectable		 6esmA-4bedB:
4.48
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.
4bws THIOREDOXIN-LIKE
PROTEIN 4A

(Homo sapiens) 		PF02966
(DIM1) 		3 TYR A  73
HIS A  89
PHE A  84
 None
 1.02A 6esmA-4bwsA:
undetectable		 6esmA-4bwsA:
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.
4cdo THIOREDOXIN-LIKE
PROTEIN 4A,
POLYGLUTAMINE-BINDIN
G PROTEIN

(Homo sapiens) 		PF02966
(DIM1) 		3 TYR A  73
HIS A  89
PHE A  84
 None
 1.07A 6esmA-4cdoA:
undetectable		 6esmA-4cdoA:
19.54
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.
4czt CBL-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 23

(Arabidopsis
thaliana) 		PF00069
(Pkinase) 		3 TYR A 144
HIS A  88
PHE A 295
 None
 0.82A 6esmA-4cztA:
undetectable		 6esmA-4cztA:
12.66
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.
4eei ADENYLOSUCCINATE
LYASE

(Francisella
tularensis) 		PF00206
(Lyase_1) 		3 TYR A 252
HIS A 244
PHE A 249
 None
 0.89A 6esmA-4eeiA:
undetectable		 6esmA-4eeiA:
10.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fvl COLLAGENASE 3

(Homo sapiens) 		PF00045
(Hemopexin)
PF00413
(Peptidase_M10) 		3 TYR A 176
HIS A 187
PHE A 189
 None
ZN  A 502 (-3.3A)
None
 0.56A 6esmA-4fvlA:
27.3		 6esmA-4fvlA:
53.75
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.
4fz8 FAB HEAVY CHAIN OF
HUMAN ANTI-HIV-1 ENV
ANTIBODY C11

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TYR H  56
HIS H 100
PHE H  99
 None
 0.67A 6esmA-4fz8H:
undetectable		 6esmA-4fz8H:
13.92
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		3 TYR A  98
HIS A  94
PHE A 137
 None
 0.91A 6esmA-4hz8A:
undetectable		 6esmA-4hz8A:
12.05
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4in9 KARILYSIN PROTEASE

(Tannerella
forsythia) 		PF00413
(Peptidase_M10) 		3 TYR A 106
HIS A 117
PHE A 119
 GOL  A 306 ( 3.6A)
ZN  A 302 (-3.2A)
GOL  A 309 ( 4.8A)
 0.61A 6esmA-4in9A:
23.3		 6esmA-4in9A:
41.46
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.
4it4 CG17282

(Drosophila
melanogaster) 		no annotation 3 TYR A  55
HIS A  68
PHE A  39
 None
 1.06A 6esmA-4it4A:
undetectable		 6esmA-4it4A:
18.75
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.
4mhu ECTOINE HYDROXYLASE

(Sphingopyxis
alaskensis) 		PF05721
(PhyH) 		3 TYR A   5
HIS A 151
PHE A 147
 None
 0.95A 6esmA-4mhuA:
undetectable		 6esmA-4mhuA:
13.79
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.
4n3s EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5B

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		3 TYR A 693
HIS A 695
PHE A 643
 None
 1.03A 6esmA-4n3sA:
undetectable		 6esmA-4n3sA:
12.04
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.
4n4u PUTATIVE ABC
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Bordetella
bronchiseptica) 		PF03480
(DctP) 		3 TYR A 118
HIS A 139
PHE A 231
 None
 0.85A 6esmA-4n4uA:
undetectable		 6esmA-4n4uA:
13.38
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.
4nmi ECTD

(Virgibacillus
salexigens) 		PF05721
(PhyH) 		3 TYR A   5
HIS A 153
PHE A 149
 None
 1.02A 6esmA-4nmiA:
undetectable		 6esmA-4nmiA:
14.04
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.
4nz6 TRNA PSEUDOURIDINE
SYNTHASE A,
MITOCHONDRIAL

(Homo sapiens) 		PF01416
(PseudoU_synth_1) 		3 TYR A 239
HIS A 243
PHE A 245
 None
 0.89A 6esmA-4nz6A:
undetectable		 6esmA-4nz6A:
16.33
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.
4p69 ISOCITRATE
DEHYDROGENASE
KINASE/PHOSPHATASE

(Escherichia
coli) 		PF06315
(AceK) 		3 TYR A 441
HIS A 536
PHE A 532
 None
 1.05A 6esmA-4p69A:
undetectable		 6esmA-4p69A:
11.33
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.
4pgh CAFFEIC ACID
O-METHYLTRANSFERASE

(Sorghum bicolor) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		3 TYR A 162
HIS A 163
PHE A 169
 None
 0.97A 6esmA-4pghA:
undetectable		 6esmA-4pghA:
12.62
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.
4pju COHESIN SUBUNIT SA-2

(Homo sapiens) 		PF08514
(STAG) 		3 TYR A 636
HIS A 701
PHE A 697
 None
 0.90A 6esmA-4pjuA:
undetectable		 6esmA-4pjuA:
6.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		3 TYR A  61
HIS A  57
PHE A 100
 None
 0.96A 6esmA-4ptxA:
undetectable		 6esmA-4ptxA:
11.69
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.
4ptx GLYCOSIDE HYDROLASE
FAMILY 1

(Halothermothrix
orenii) 		PF00232
(Glyco_hydro_1) 		3 TYR A 259
HIS A 264
PHE A 274
 None
 1.02A 6esmA-4ptxA:
undetectable		 6esmA-4ptxA:
11.69
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.
4q2c CRISPR-ASSOCIATED
HELICASE CAS3

(Thermobaculum
terrenum) 		PF00271
(Helicase_C) 		3 TYR A 415
HIS A 138
PHE A 107
 None
NI  A1002 (-3.3A)
None
 1.04A 6esmA-4q2cA:
undetectable		 6esmA-4q2cA:
6.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s3p 4-ALPHA-GLUCANOTRANS
FERASE

(Escherichia
coli) 		PF02446
(Glyco_hydro_77) 		3 TYR A 191
HIS A 302
PHE A 298
 None
 0.95A 6esmA-4s3pA:
undetectable		 6esmA-4s3pA:
8.69
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.
4tkt AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		3 TYR A3739
HIS A3237
PHE A3214
 None
 1.03A 6esmA-4tktA:
undetectable		 6esmA-4tktA:
8.84
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.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		3 TYR A  63
HIS A  29
PHE A  17
 None
 1.06A 6esmA-4tmcA:
undetectable		 6esmA-4tmcA:
13.14
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.
4tmz EIF5B

(Chaetomium
thermophilum) 		no annotation 3 TYR B 811
HIS B 813
PHE B 761
 None
 0.99A 6esmA-4tmzB:
undetectable		 6esmA-4tmzB:
14.98
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.
4wmj GLUCOSE-6-PHOSPHATE
ISOMERASE

(Colias
eurytheme) 		PF00342
(PGI) 		3 TYR A 148
HIS A 245
PHE A 232
 None
 1.04A 6esmA-4wmjA:
undetectable		 6esmA-4wmjA:
8.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xct MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10) 		3 TYR A 179
HIS A 190
PHE A 192
 DMS  A 307 ( 3.9A)
ZN  A 303 ( 3.2A)
DMS  A 307 (-4.2A)
 0.10A 6esmA-4xctA:
32.9		 6esmA-4xctA:
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.
4z0z AURONE SYNTHASE

(Coreopsis
grandiflora) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		3 TYR A 128
HIS A 286
PHE A 282
 None
HS8  A 252 ( 3.7A)
None
 1.02A 6esmA-4z0zA:
undetectable		 6esmA-4z0zA:
13.02
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.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		3 TYR A  64
HIS A  60
PHE A 103
 None
 0.94A 6esmA-4zfmA:
undetectable		 6esmA-4zfmA:
9.69
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		3 TYR A 259
HIS A 257
PHE A 273
 None
 1.03A 6esmA-4zxzA:
undetectable		 6esmA-4zxzA:
12.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c70 GLUCURONIDASE

(Aspergillus
oryzae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		3 TYR A 534
HIS A 535
PHE A 538
 None
 1.03A 6esmA-5c70A:
undetectable		 6esmA-5c70A:
9.26
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		3 TYR A  68
HIS A  66
PHE A  41
 None
 1.00A 6esmA-5dmyA:
undetectable		 6esmA-5dmyA:
6.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3a TYROSINASE

(Bacillus
megaterium) 		PF00264
(Tyrosinase) 		3 TYR A  72
HIS A  69
PHE A 227
 None
ZN  A 302 ( 4.9A)
ZN  A 302 ( 4.7A)
 1.05A 6esmA-5i3aA:
undetectable		 6esmA-5i3aA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i3o BMP-2-INDUCIBLE
PROTEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A 286
HIS A 291
PHE A 261
 None
 0.89A 6esmA-5i3oA:
undetectable		 6esmA-5i3oA:
13.33
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.
5idn CYCLIN-DEPENDENT
KINASE 8

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A 353
HIS A 102
PHE A 346
 None
 1.05A 6esmA-5idnA:
undetectable		 6esmA-5idnA:
13.46
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.
5lmc ANAEROBIC NITRIC
OXIDE REDUCTASE
FLAVORUBREDOXIN

(Escherichia
coli) 		PF00258
(Flavodoxin_1)
PF00301
(Rubredoxin)
PF00753
(Lactamase_B) 		3 TYR A  35
HIS A 227
PHE A  22
 None
FEO  A 501 ( 3.3A)
PO4  A 503 ( 4.9A)
 1.03A 6esmA-5lmcA:
2.6		 6esmA-5lmcA:
11.45
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.
5m6m E3 UBIQUITIN-PROTEIN
LIGASE XIAP

(Homo sapiens) 		PF00653
(BIR) 		3 TYR A 329
HIS A 302
PHE A 301
 None
 0.93A 6esmA-5m6mA:
undetectable		 6esmA-5m6mA:
18.11
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.
5ns8 -

(-) 		no annotation 3 TYR A  59
HIS A  55
PHE A  98
 None
 0.92A 6esmA-5ns8A:
undetectable		 6esmA-5ns8A:
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.
5ogz -

(-) 		no annotation 3 TYR A  61
HIS A  57
PHE A 100
 None
 0.96A 6esmA-5ogzA:
undetectable		 6esmA-5ogzA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5th6 MATRIX
METALLOPROTEINASE-9,
MATRIX
METALLOPROTEINASE-9

(Homo sapiens) 		PF00413
(Peptidase_M10)
PF01471
(PG_binding_1) 		3 TYR A 179
HIS A 190
PHE A 192
 None
ZN  A 502 (-3.2A)
None
 0.35A 6esmA-5th6A:
26.6		 6esmA-5th6A:
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.
5ugz PUTATIVE
THIOESTERASE

(Escherichia
coli) 		PF00975
(Thioesterase) 		3 TYR A  11
HIS A 215
PHE A 216
 None
 1.02A 6esmA-5ugzA:
2.2		 6esmA-5ugzA:
15.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5xgz BETA-GLYCOSIDASE

(uncultured
microorganism) 		no annotation 3 TYR A  65
HIS A  61
PHE A 104
 None
 0.94A 6esmA-5xgzA:
undetectable		 6esmA-5xgzA:
30.67
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.
5yeu -

(-) 		no annotation 3 TYR A 139
HIS A 397
PHE A 243
 None
 0.98A 6esmA-5yeuA:
undetectable		 6esmA-5yeuA:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 3 TYR A 176
HIS A 238
PHE A 269
 None
 0.93A 6esmA-5z73A:
undetectable		 6esmA-5z73A:
24.44
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.
6ey2 -

(-) 		no annotation 3 TYR A 329
HIS A 302
PHE A 301
 None
 0.92A 6esmA-6ey2A:
undetectable		 6esmA-6ey2A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g1o -

(-) 		no annotation 3 TYR A 379
HIS A 448
PHE A 435
 None
 0.83A 6esmA-6g1oA:
undetectable		 6esmA-6g1oA:
undetectable