SIMILAR PATTERNS OF AMINO ACIDS FOR 2HA4_B_ACHB603_0

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.
1aq0 1,3-1,4-BETA-GLUCANA
SE

(Hordeum vulgare) 		PF00332
(Glyco_hydro_17) 		4 TYR A 170
GLU A 280
TYR A  33
GLY A   6
 None
 1.10A 2ha4B-1aq0A:
undetectable		 2ha4B-1aq0A:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		7 TRP A  86
TYR A 124
TYR A 133
GLU A 202
TYR A 337
HIS A 447
GLY A 448
 None
 0.49A 2ha4B-1b41A:
63.1		 2ha4B-1b41A:
88.31
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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		4 TRP A 182
TYR A 154
TYR A 129
GLY A  97
 None
 0.90A 2ha4B-1b5dA:
undetectable		 2ha4B-1b5dA:
19.20
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.
1bol PROTEIN
(RIBONUCLEASE RH)

(Rhizopus niveus) 		PF00445
(Ribonuclease_T2) 		4 TYR A  57
GLU A 105
HIS A  46
GLY A  47
 None
 1.07A 2ha4B-1bolA:
undetectable		 2ha4B-1bolA:
15.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1c2o ACETYLCHOLINESTERASE

(Electrophorus
electricus) 		PF00135
(COesterase) 		7 TRP A  86
TYR A 124
TYR A 133
GLU A 202
TYR A 337
HIS A 447
GLY A 448
 None
 0.23A 2ha4B-1c2oA:
63.5		 2ha4B-1c2oA:
99.81
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.
1c39 CATION-DEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Bos taurus) 		PF02157
(Man-6-P_recep) 		4 TYR A  45
TYR A 102
HIS A 105
GLY A 136
 P3M  A1200 (-4.5A)
P3M  A1200 (-4.8A)
P3M  A1200 (-3.7A)
None
 1.19A 2ha4B-1c39A:
undetectable		 2ha4B-1c39A:
14.21
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.
1f0x D-LACTATE
DEHYDROGENASE

(Escherichia
coli) 		PF01565
(FAD_binding_4)
PF09330
(Lact-deh-memb) 		4 TYR A 228
GLU A 308
HIS A 489
GLY A 488
 None
None
FAD  A 600 ( 4.6A)
None
 1.21A 2ha4B-1f0xA:
undetectable		 2ha4B-1f0xA:
23.38
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		6 TRP A  84
TYR A 121
TYR A 130
GLU A 199
HIS A 440
GLY A 441
 SAF  A1998 (-3.8A)
None
None
SAF  A1998 (-3.5A)
EMM  A1999 ( 3.8A)
SAF  A1998 ( 4.6A)
 0.62A 2ha4B-1gqrA:
62.0		 2ha4B-1gqrA:
58.60
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.
1h71 SERRALYSIN

(Pseudomonas sp.
'TAC II 18') 		PF00413
(Peptidase_M10)
PF08548
(Peptidase_M10_C) 		4 TYR P 183
TYR P 162
GLU P 170
HIS P 173
 None
None
ZN  P 600 ( 4.0A)
ZN  P 600 (-3.4A)
 1.14A 2ha4B-1h71P:
undetectable		 2ha4B-1h71P:
23.26
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1k4y LIVER
CARBOXYLESTERASE

(Oryctolagus
cuniculus) 		PF00135
(COesterase) 		4 TYR A 152
GLU A 220
HIS A 467
GLY A 468
 None
 0.74A 2ha4B-1k4yA:
49.9		 2ha4B-1k4yA:
33.62
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.
1kq0 METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 TYR A 444
GLU A 364
HIS A 331
GLY A 330
 MED  A 601 ( 4.7A)
ZN  A 480 (-2.6A)
ZN  A 480 ( 3.4A)
None
 0.80A 2ha4B-1kq0A:
undetectable		 2ha4B-1kq0A:
20.27
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.
1lt3 HEAT-LABILE
ENTEROTOXIN

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		4 TYR A 150
TYR A 210
TYR A  30
GLY A 117
 None
 1.22A 2ha4B-1lt3A:
undetectable		 2ha4B-1lt3A:
18.92
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 TYR D 387
GLU D 291
HIS D 343
GLY D 287
 None
 1.09A 2ha4B-1mtyD:
undetectable		 2ha4B-1mtyD:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7u ADSORPTION PROTEIN
P2

(Salmonella
virus PRD1) 		PF09214
(Prd1-P2) 		4 TYR A  89
GLU A 111
TYR A 135
HIS A 136
 None
 1.00A 2ha4B-1n7uA:
undetectable		 2ha4B-1n7uA:
22.43
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 TYR A 109
GLU A  31
HIS A  26
GLY A  28
 None
None
MDE  A 704 ( 4.1A)
None
 0.84A 2ha4B-1ps9A:
undetectable		 2ha4B-1ps9A:
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.
1q3k CREATININASE

(Pseudomonas
putida) 		PF02633
(Creatininase) 		4 TYR A 153
GLU A  34
HIS A 178
GLY A  79
 None
ZN  A 300 (-2.5A)
ZN  A 300 ( 4.9A)
None
 1.17A 2ha4B-1q3kA:
3.5		 2ha4B-1q3kA:
18.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A  83
TYR A 162
GLU A 237
HIS A 480
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 0.33A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TRP A  83
TYR A 162
GLU A 237
TYR A 370
GLY A 481
 I40  A 997 (-3.2A)
None
I40  A 997 (-4.2A)
I40  A 997 (-3.9A)
I40  A 997 ( 4.3A)
 0.92A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qon ACETYLCHOLINESTERASE

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 TYR A  71
TYR A 162
GLU A 237
HIS A 480
GLY A 481
 I40  A 997 ( 3.8A)
None
I40  A 997 (-4.2A)
SO4  A 593 (-4.1A)
I40  A 997 ( 4.3A)
 1.31A 2ha4B-1qonA:
61.2		 2ha4B-1qonA:
38.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		4 TYR A 141
GLU A 216
HIS A 463
GLY A 464
 None
 0.44A 2ha4B-1thgA:
36.5		 2ha4B-1thgA:
30.90
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.
1wkm METHIONINE
AMINOPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24) 		4 TYR A 265
GLU A 187
HIS A 153
GLY A 152
 MET  A1298 ( 4.7A)
MN  A 296 ( 2.6A)
MN  A 296 ( 3.3A)
None
 0.81A 2ha4B-1wkmA:
undetectable		 2ha4B-1wkmA:
22.26
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.
1wom SIGMA FACTOR SIGB
REGULATION PROTEIN
RSBQ

(Bacillus
subtilis) 		PF12697
(Abhydrolase_6) 		4 TYR A  52
TYR A 125
HIS A  95
GLY A 120
 None
None
PGO  A 601 ( 4.8A)
None
 1.10A 2ha4B-1womA:
11.5		 2ha4B-1womA:
20.55
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.
1xc6 BETA-GALACTOSIDASE

(Penicillium sp.) 		PF01301
(Glyco_hydro_35)
PF10435
(BetaGal_dom2)
PF13363
(BetaGal_dom3)
PF13364
(BetaGal_dom4_5) 		4 TYR A 138
TYR A  70
HIS A 356
GLY A 355
 None
None
None
EDO  A9008 (-3.5A)
 1.17A 2ha4B-1xc6A:
undetectable		 2ha4B-1xc6A:
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 TYR A 256
GLU A 293
TYR A 367
GLY A 389
 None
BI1  A1000 ( 4.9A)
None
None
 1.24A 2ha4B-1zrzA:
undetectable		 2ha4B-1zrzA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2adu METHIONINE
AMINOPEPTIDASE 2

(Homo sapiens) 		PF00557
(Peptidase_M24) 		4 TYR A 444
GLU A 364
HIS A 331
GLY A 330
 R20  A 906 (-3.5A)
CO  A 502 ( 2.6A)
CO  A 502 ( 3.2A)
None
 0.85A 2ha4B-2aduA:
undetectable		 2ha4B-2aduA:
21.04
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.
2cyg BETA-1, 3-GLUCANANSE

(Musa acuminata) 		PF00332
(Glyco_hydro_17) 		4 TYR A 202
GLU A 314
TYR A  61
GLY A  34
 None
 1.23A 2ha4B-2cygA:
undetectable		 2ha4B-2cygA:
20.40
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 TYR A 572
TYR A 146
GLU A 474
GLY A 476
 None
 1.10A 2ha4B-2d5wA:
undetectable		 2ha4B-2d5wA:
23.55
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.
2e3j EPOXIDE HYDROLASE
EPHB

(Mycobacterium
tuberculosis) 		PF00561
(Abhydrolase_1) 		4 TRP A 307
TYR A 152
TYR A 164
GLY A 304
 None
None
ACT  A2005 (-4.6A)
None
 1.26A 2ha4B-2e3jA:
12.6		 2ha4B-2e3jA:
23.37
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.
2fsr ACETYLTRANSFERASE

(Agrobacterium
fabrum) 		PF13302
(Acetyltransf_3) 		4 TRP A  95
TYR A 165
GLU A  92
GLY A  94
 None
 1.16A 2ha4B-2fsrA:
undetectable		 2ha4B-2fsrA:
16.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g17 N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Salmonella
enterica) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A 207
TYR A 118
GLU A 217
GLY A 153
 SO4  A 410 ( 4.7A)
SO4  A 402 (-4.4A)
None
SO4  A 406 (-3.4A)
 1.18A 2ha4B-2g17A:
undetectable		 2ha4B-2g17A:
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.
2g5g PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF04187
(Cofac_haem_bdg) 		4 GLU X  80
TYR X 219
HIS X 220
GLY X 217
 None
 0.87A 2ha4B-2g5gX:
undetectable		 2ha4B-2g5gX:
20.08
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.
2g5g PUTATIVE LIPOPROTEIN

(Campylobacter
jejuni) 		PF04187
(Cofac_haem_bdg) 		4 TYR X 120
GLU X  80
HIS X 220
GLY X 217
 None
 1.08A 2ha4B-2g5gX:
undetectable		 2ha4B-2g5gX:
20.08
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.
2gk1 BETA-HEXOSAMINIDASE
SUBUNIT ALPHA
BETA-HEXOSAMINIDASE
SUBUNIT BETA CHAIN A

(Homo sapiens;
Homo sapiens) 		no annotation
no annotation 		4 TYR N 526
TYR N 456
HIS I 179
GLY I 461
 None
 1.13A 2ha4B-2gk1N:
undetectable		 2ha4B-2gk1N:
16.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nsm CARBOXYPEPTIDASE N
CATALYTIC CHAIN

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF13620
(CarboxypepD_reg) 		4 TYR A 127
GLU A  69
HIS A 196
GLY A 197
 None
SO4  A1776 ( 4.6A)
SO4  A1776 (-3.9A)
None
 0.97A 2ha4B-2nsmA:
3.1		 2ha4B-2nsmA:
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.
2o4v PORIN P

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		4 TYR A 298
GLU A 264
HIS A 200
GLY A 265
 None
None
None
C8E  A1298 (-3.4A)
 1.09A 2ha4B-2o4vA:
undetectable		 2ha4B-2o4vA:
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.
2q49 PROBABLE
N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Arabidopsis
thaliana) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		4 TYR A 217
TYR A 127
GLU A 227
GLY A 162
 None
 1.27A 2ha4B-2q49A:
undetectable		 2ha4B-2q49A:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qjo BIFUNCTIONAL NMN
ADENYLYLTRANSFERASE/
NUDIX HYDROLASE

(Synechocystis
sp. PCC 6803) 		PF00293
(NUDIX)
PF01467
(CTP_transf_like) 		4 TYR A 119
GLU A 130
HIS A 111
GLY A 132
 NAD  A 601 (-4.2A)
None
NAD  A 601 (-4.3A)
None
 1.26A 2ha4B-2qjoA:
undetectable		 2ha4B-2qjoA:
21.52
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 TYR A 176
GLU A 235
HIS A 237
GLY A 299
 None
 1.16A 2ha4B-3dkhA:
undetectable		 2ha4B-3dkhA:
24.30
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.
3dpu RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF08477
(Roc)
PF16095
(COR) 		4 TRP A 551
TYR A 804
GLU A 520
GLY A 518
 None
 1.14A 2ha4B-3dpuA:
undetectable		 2ha4B-3dpuA:
21.46
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		4 TYR A 324
GLU A 243
HIS A 210
GLY A 209
 FUG  A 481 (-3.9A)
FE  A 451 ( 2.7A)
FE  A 451 (-3.4A)
None
 0.78A 2ha4B-3fmqA:
undetectable		 2ha4B-3fmqA:
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.
3gqc DNA REPAIR PROTEIN
REV1

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		4 TYR A 353
GLU A 715
HIS A 820
GLY A 818
 None
 1.22A 2ha4B-3gqcA:
undetectable		 2ha4B-3gqcA:
22.19
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.
3ip3 OXIDOREDUCTASE,
PUTATIVE

(Thermotoga
maritima) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		4 TYR A 236
GLU A  96
HIS A  12
GLY A  11
 None
 1.15A 2ha4B-3ip3A:
2.4		 2ha4B-3ip3A:
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.
3iyl VP1

(Aquareovirus C) 		PF06016
(Reovirus_L2) 		4 TYR W 443
TYR W1160
HIS W1065
GLY W1106
 None
 1.11A 2ha4B-3iylW:
undetectable		 2ha4B-3iylW:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k28 GLUTAMATE-1-SEMIALDE
HYDE 2,1-AMINOMUTASE
2

(Bacillus
anthracis) 		PF00202
(Aminotran_3) 		4 TYR A 184
GLU A 241
TYR A 257
GLY A 253
 None
 1.05A 2ha4B-3k28A:
undetectable		 2ha4B-3k28A:
21.49
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.
3k2k PUTATIVE
CARBOXYPEPTIDASE

(Burkholderia
mallei) 		PF00246
(Peptidase_M14) 		4 TYR A  65
GLU A 174
HIS A 268
GLY A 269
 None
 1.15A 2ha4B-3k2kA:
3.5		 2ha4B-3k2kA:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k9b LIVER
CARBOXYLESTERASE 1

(Homo sapiens) 		PF00135
(COesterase) 		4 TYR A1152
GLU A1220
HIS A1468
GLY A1469
 None
WW2  A 193 ( 4.2A)
None
None
 0.34A 2ha4B-3k9bA:
52.1		 2ha4B-3k9bA:
35.54
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		4 TYR A  27
TYR A 168
HIS A 166
GLY A 252
 None
TXD  A 402 (-4.6A)
TXD  A 402 ( 3.8A)
TXD  A 402 (-4.0A)
 1.27A 2ha4B-3krzA:
2.5		 2ha4B-3krzA:
20.37
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		4 TYR A  63
GLU A 169
HIS A 259
GLY A 260
 None
CA  A 377 (-2.1A)
CA  A 377 (-3.2A)
None
 1.22A 2ha4B-3l2nA:
4.3		 2ha4B-3l2nA:
21.57
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.
3pie 5'->3'
EXORIBONUCLEASE
(XRN1)

(Kluyveromyces
lactis) 		PF03159
(XRN_N) 		4 TYR A  61
GLU A 172
HIS A 171
GLY A 170
 None
 1.19A 2ha4B-3pieA:
undetectable		 2ha4B-3pieA:
18.02
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.
3pnz PHOSPHOTRIESTERASE
FAMILY PROTEIN

(Listeria
monocytogenes) 		PF02126
(PTE) 		4 TYR A  71
TYR A 279
GLU A  23
GLY A 271
 PO4  A 335 (-3.8A)
None
None
None
 1.23A 2ha4B-3pnzA:
undetectable		 2ha4B-3pnzA:
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.
3ram HMRA PROTEIN

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 TYR A  83
TYR A 140
HIS A  60
GLY A  59
 None
 1.24A 2ha4B-3ramA:
undetectable		 2ha4B-3ramA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  41
TYR A 128
HIS A 210
GLY A 208
 None
None
MG  A 500 ( 4.9A)
None
 1.06A 2ha4B-3rcyA:
undetectable		 2ha4B-3rcyA:
21.47
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 172
TYR A 132
GLU A 335
HIS A 310
 None
 1.22A 2ha4B-3rcyA:
undetectable		 2ha4B-3rcyA:
21.47
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.
3szb ALDEHYDE
DEHYDROGENASE

(Homo sapiens) 		PF00171
(Aldedh) 		4 TRP A  80
GLU A  69
HIS A 397
GLY A 414
 None
 1.12A 2ha4B-3szbA:
undetectable		 2ha4B-3szbA:
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  41
TYR A 128
HIS A 210
GLY A 208
 None
 1.11A 2ha4B-3t4wA:
undetectable		 2ha4B-3t4wA:
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 172
TYR A 132
GLU A 335
HIS A 310
 None
 1.26A 2ha4B-3t4wA:
undetectable		 2ha4B-3t4wA:
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		4 TYR A  69
GLU A 217
HIS A 184
GLY A 183
 LMR  A 271 ( 4.9A)
MG  A 266 (-2.7A)
MG  A 266 (-3.4A)
None
 1.06A 2ha4B-3tavA:
undetectable		 2ha4B-3tavA:
18.58
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.
3uw2 PHOSPHOGLUCOMUTASE/P
HOSPHOMANNOMUTASE
FAMILY PROTEIN

(Burkholderia
thailandensis) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III) 		4 TYR A  84
GLU A 326
HIS A 309
GLY A 308
 None
 1.12A 2ha4B-3uw2A:
undetectable		 2ha4B-3uw2A:
22.52
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.
3vuo NTNHA

(Clostridium
botulinum) 		PF01742
(Peptidase_M27)
PF07953
(Toxin_R_bind_N)
PF08470
(NTNH_C) 		4 TRP A 962
TYR A1032
GLU A1014
GLY A 871
 None
 0.83A 2ha4B-3vuoA:
undetectable		 2ha4B-3vuoA:
17.07
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.
3wiq KOJIBIOSE
PHOSPHORYLASE

(Caldicellulosiruptor
saccharolyticus) 		PF03632
(Glyco_hydro_65m)
PF03633
(Glyco_hydro_65C)
PF03636
(Glyco_hydro_65N) 		4 TYR A 286
TYR A 353
HIS A 333
GLY A 331
 None
 1.20A 2ha4B-3wiqA:
undetectable		 2ha4B-3wiqA:
21.50
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.
4a39 METALLO-CARBOXYPEPTI
DASE

(Pseudomonas
aeruginosa) 		PF00246
(Peptidase_M14) 		4 TYR A  64
GLU A 170
HIS A 260
GLY A 261
 None
ZN  A1376 ( 2.0A)
ZN  A1376 ( 3.2A)
GEM  A1377 (-4.8A)
 1.21A 2ha4B-4a39A:
3.4		 2ha4B-4a39A:
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.
4b6z FAMILY M14
UNASSIGNED PEPTIDASE

(Burkholderia
cenocepacia) 		PF00246
(Peptidase_M14) 		4 TYR A  65
GLU A 174
HIS A 268
GLY A 269
 None
ZN  A 385 (-2.1A)
ZN  A 385 (-3.2A)
None
 1.27A 2ha4B-4b6zA:
4.7		 2ha4B-4b6zA:
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.
4bq4 B-AGARASE

(Saccharophagus
degradans) 		PF02449
(Glyco_hydro_42) 		4 GLU A 634
TYR A 663
HIS A 630
GLY A 631
 None
 1.00A 2ha4B-4bq4A:
undetectable		 2ha4B-4bq4A:
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.
4bvx EUKARYOTIC
TRANSLATION
ELONGATION FACTOR 1
EPSILON-1

(Homo sapiens) 		PF00043
(GST_C) 		4 TYR B 152
GLU B  67
TYR B  59
GLY B  62
 None
 1.17A 2ha4B-4bvxB:
undetectable		 2ha4B-4bvxB:
15.44
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.
4con ANAEROBIC
RIBONUCLEOSIDE-TRIPH
OSPHATE REDUCTASE

(Thermotoga
maritima) 		PF13597
(NRDD) 		4 TYR A 227
GLU A 495
TYR A 584
GLY A 553
 None
 1.15A 2ha4B-4conA:
2.4		 2ha4B-4conA:
21.15
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.
4cvu BETA-MANNOSIDASE

(Trichoderma
harzianum) 		PF00703
(Glyco_hydro_2) 		4 TYR A 683
GLU A 647
HIS A 628
GLY A 644
 None
 0.98A 2ha4B-4cvuA:
undetectable		 2ha4B-4cvuA:
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  41
TYR A 128
HIS A 209
GLY A 207
 None
 1.06A 2ha4B-4e4uA:
2.1		 2ha4B-4e4uA:
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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A  41
TYR A 128
HIS A 215
GLY A 213
 None
None
MG  A 501 ( 4.5A)
None
 0.99A 2ha4B-4e5tA:
undetectable		 2ha4B-4e5tA:
23.73
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.
4eis POLYSACCHARIDE
MONOOXYGENASE-3

(Neurospora
crassa) 		PF03443
(Glyco_hydro_61) 		4 TYR B  89
GLU B 115
TYR B 215
GLY B 116
 None
 1.13A 2ha4B-4eisB:
undetectable		 2ha4B-4eisB:
16.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 TYR A 386
TYR A 108
GLU A 111
HIS A 319
 None
 1.10A 2ha4B-4el8A:
undetectable		 2ha4B-4el8A:
22.95
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.
4fo7 METHIONINE
AMINOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF00557
(Peptidase_M24) 		4 TYR A  62
GLU A 203
HIS A 170
GLY A 169
 None
MN  A 301 (-2.7A)
MN  A 301 (-3.5A)
None
 1.03A 2ha4B-4fo7A:
undetectable		 2ha4B-4fo7A:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4foz PORIN D

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 TYR A 305
GLU A 313
TYR A 359
GLY A 310
 None
 1.00A 2ha4B-4fozA:
undetectable		 2ha4B-4fozA:
20.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gzi GLUCAN
ENDO-1,3-BETA-D-GLUC
OSIDASE

(Solanum
tuberosum) 		PF00332
(Glyco_hydro_17) 		4 TYR A 201
GLU A 310
TYR A  58
GLY A  31
 BGC  A 401 (-4.2A)
BGC  A 402 (-2.8A)
BGC  A 402 (-3.5A)
BGC  A 402 ( 3.7A)
 1.09A 2ha4B-4gziA:
undetectable		 2ha4B-4gziA:
20.37
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.
4hds ARSA

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		4 TYR A  79
TYR A  91
GLU A 176
GLY A 318
 IPH  A 801 ( 4.0A)
None
None
None
 1.16A 2ha4B-4hdsA:
2.9		 2ha4B-4hdsA:
21.79
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.
4i6m ACTIN-RELATED
PROTEIN 7

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		4 TYR A 123
GLU A 141
HIS A  11
GLY A 436
 None
PO4  A 505 (-3.3A)
PO4  A 505 (-4.2A)
PO4  A 505 ( 4.8A)
 1.27A 2ha4B-4i6mA:
undetectable		 2ha4B-4i6mA:
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.
4jjj CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Thermobifida
fusca) 		PF02011
(Glyco_hydro_48) 		4 TYR A 300
GLU A 108
TYR A 385
GLY A 383
 CE6  A 703 (-3.8A)
CE6  A 703 ( 4.5A)
None
None
 1.21A 2ha4B-4jjjA:
undetectable		 2ha4B-4jjjA:
23.26
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.
4knt MULTICOPPER OXIDASE
TYPE 1

(Nitrosomonas
europaea) 		PF07732
(Cu-oxidase_3) 		4 TYR A  47
GLU A 163
TYR A 137
GLY A 219
 None
 1.25A 2ha4B-4kntA:
undetectable		 2ha4B-4kntA:
19.01
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.
4ojz PUTATIVE ALGINATE
LYASE

(Saccharophagus
degradans) 		PF05426
(Alginate_lyase)
PF07940
(Hepar_II_III) 		4 TYR A 261
GLU A  87
HIS A  86
GLY A  82
 BEM  A 804 (-3.6A)
None
None
None
 1.16A 2ha4B-4ojzA:
undetectable		 2ha4B-4ojzA:
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.
4qi6 CELLOBIOSE
DEHYDROGENASE

(Crassicarpon
hotsonii) 		PF00732
(GMC_oxred_N)
PF00734
(CBM_1)
PF05199
(GMC_oxred_C)
PF16010
(CDH-cyt) 		4 TYR A  54
GLU A  24
HIS A 122
GLY A  31
 None
 1.24A 2ha4B-4qi6A:
undetectable		 2ha4B-4qi6A:
22.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		7 TRP A  84
TYR A 121
TYR A 130
GLU A 199
TYR A 330
HIS A 440
GLY A 441
 None
 0.41A 2ha4B-4qwwA:
62.1		 2ha4B-4qwwA:
64.02
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		4 TYR A2357
TYR A2390
HIS A2319
GLY A2324
 None
 0.84A 2ha4B-4tvcA:
undetectable		 2ha4B-4tvcA:
18.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xii CHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 TRP A  82
TYR A 128
GLU A 197
HIS A 438
GLY A 439
 40V  A1001 (-3.3A)
None
40V  A1001 (-3.2A)
40V  A1001 (-3.6A)
40V  A1001 ( 3.9A)
 0.18A 2ha4B-4xiiA:
65.4		 2ha4B-4xiiA:
52.12
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.
4xwl EXOGLUCANASE S

(Clostridium
cellulovorans) 		PF02011
(Glyco_hydro_48) 		4 TYR A 116
GLU A 109
HIS A 310
GLY A 372
 None
 1.25A 2ha4B-4xwlA:
undetectable		 2ha4B-4xwlA:
22.63
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.
4zlg PUTATIVE B-GLYCAN
PHOSPHORYLASE

(Saccharophagus
degradans) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 TYR A  40
TYR A  81
GLU A 224
GLY A 228
 None
 1.26A 2ha4B-4zlgA:
undetectable		 2ha4B-4zlgA:
24.04
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.
4zxc HYDROQUINONE
DIOXYGENASE LARGE
SUBUNIT

(Pseudomonas sp.
WBC-3) 		no annotation 4 TYR W  95
TYR W 101
HIS W 256
GLY W 257
 None
None
FE  W 500 (-3.1A)
None
 1.16A 2ha4B-4zxcW:
undetectable		 2ha4B-4zxcW:
21.64
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.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		4 TYR A 200
GLU A 330
HIS A 591
GLY A 301
 None
 1.15A 2ha4B-5f7sA:
undetectable		 2ha4B-5f7sA:
21.98
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		4 TYR A 135
GLU A 203
HIS A 449
GLY A 450
 None
 0.23A 2ha4B-5fv4A:
51.4		 2ha4B-5fv4A:
35.62
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.
5gjn LYSINE/ORNITHINE
DECARBOXYLASE

(Selenomonas
ruminantium) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		4 TYR A 352
GLU A 255
HIS A 179
GLY A 217
 GOL  A 401 (-4.7A)
None
None
None
 1.26A 2ha4B-5gjnA:
undetectable		 2ha4B-5gjnA:
21.35
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.
5hl4 RING-HYDROXYLATING
DIOXYGENASE

(Sinorhizobium
meliloti) 		PF00355
(Rieske)
PF00848
(Ring_hydroxyl_A) 		4 TYR A  26
TYR A 301
TYR A 381
GLY A 388
 None
 1.27A 2ha4B-5hl4A:
undetectable		 2ha4B-5hl4A:
21.04
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		4 TYR A 147
TYR A 324
HIS A 326
GLY A 165
 None
 1.12A 2ha4B-5hsiA:
undetectable		 2ha4B-5hsiA:
21.98
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.
5m59 PUTATIVE PRE-MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		PF08084
(PROCT) 		4 TRP B2180
TYR B2271
TYR B2102
GLY B2149
 None
 1.05A 2ha4B-5m59B:
undetectable		 2ha4B-5m59B:
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.
5t3b GLYCOSIDE HYDROLASE

(Bacteroides
plebeius) 		no annotation 4 TYR A  57
TYR A 397
TYR A  99
GLY A 412
 None
 0.98A 2ha4B-5t3bA:
undetectable		 2ha4B-5t3bA:
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.
5x3j GLYCOSIDE HYDROLASE
FAMILY 31

(Kribbella
flavida) 		no annotation 4 TYR A 191
GLU A 314
HIS A 575
GLY A 285
 GLC  A 819 ( 4.3A)
GLC  A 822 ( 2.6A)
GLC  A 822 ( 4.0A)
None
 1.10A 2ha4B-5x3jA:
undetectable		 2ha4B-5x3jA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
TYR A 282
TYR A 291
GLU A 359
TYR A 489
HIS A 600
GLY A 601
 SEB  A 360 ( 4.2A)
None
None
SEB  A 360 ( 3.3A)
None
SEB  A 360 ( 4.2A)
None
 0.38A 2ha4B-5ydjA:
64.6		 2ha4B-5ydjA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 7 TRP A 245
TYR A 282
TYR A 291
GLU A 359
TYR A 489
HIS A 600
GLY A 601
 None
 0.46A 2ha4B-6arxA:
64.7		 2ha4B-6arxA:
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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B
ALTERNATIVE COMPLEX
III SUBUNIT C

(Flavobacterium
johnsoniae;
Flavobacterium
johnsoniae) 		no annotation
no annotation 		4 TRP C 404
TYR C 342
TYR C 332
GLU B 832
 None
 1.28A 2ha4B-6btmC:
undetectable		 2ha4B-6btmC:
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.
6cmo CHIMERA PROTEIN OF
SOLUBLE CYTOCHROME
B562 AND RHODOPSIN

(Escherichia
coli;
Homo sapiens) 		no annotation 4 TYR R 268
GLU R 181
TYR R 178
GLY R 188
 None
 1.26A 2ha4B-6cmoR:
undetectable		 2ha4B-6cmoR:
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.
6grw -

(-) 		no annotation 4 TYR A 418
GLU A 290
HIS A 408
GLY A 409
 None
 1.24A 2ha4B-6grwA:
14.4		 2ha4B-6grwA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6gui -

(-) 		no annotation 4 TYR A 145
GLU A 211
TYR A 262
GLY A 208
 None
 1.16A 2ha4B-6guiA:
13.9		 2ha4B-6guiA:
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.
6gun -

(-) 		no annotation 4 TYR A 152
GLU A 224
TYR A 275
GLY A 221
 None
 1.25A 2ha4B-6gunA:
13.8		 2ha4B-6gunA:
undetectable