SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZXW_B_CHDB1086

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.
1bhy P64K

(Neisseria
meningitidis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 548
GLY A 546
GLU A 483
THR A 480
GLY A 539
 None
 1.50A 2zxwA-1bhyA:
0.0
2zxwB-1bhyA:
0.0
2zxwT-1bhyA:
0.0		 2zxwA-1bhyA:
20.07
2zxwB-1bhyA:
18.46
2zxwT-1bhyA:
9.54
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.
1dgj ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
desulfuricans) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 866
GLN A 657
THR A 706
ARG A 535
GLY A 699
 MCN  A 914 (-3.6A)
MCN  A 914 (-3.7A)
None
MCN  A 914 ( 4.0A)
MCN  A 914 (-4.6A)
 1.26A 2zxwA-1dgjA:
0.0
2zxwB-1dgjA:
0.0
2zxwT-1dgjA:
0.0		 2zxwA-1dgjA:
20.43
2zxwB-1dgjA:
13.47
2zxwT-1dgjA:
6.46
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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 MET B 485
GLU B 482
THR B 481
PHE B 531
GLY B 532
 None
 1.23A 2zxwA-1k5sB:
0.8
2zxwB-1k5sB:
0.0
2zxwT-1k5sB:
0.0		 2zxwA-1k5sB:
20.53
2zxwB-1k5sB:
17.45
2zxwT-1k5sB:
12.50
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 GLN A 177
THR A 257
ARG A 197
ARG A 201
GLY A 234
 None
None
NAD  A 600 (-3.9A)
None
None
 1.46A 2zxwA-1x87A:
0.0
2zxwB-1x87A:
0.0
2zxwT-1x87A:
0.0		 2zxwA-1x87A:
20.44
2zxwB-1x87A:
18.23
2zxwT-1x87A:
9.12
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 GLY A  67
GLN A  71
GLU A  40
ARG A  90
GLY A 105
 NLG  A1302 (-3.3A)
None
None
NLG  A1302 (-4.3A)
None
 1.27A 2zxwA-2bufA:
undetectable
2zxwB-2bufA:
0.0
2zxwT-2bufA:
0.0		 2zxwA-2bufA:
22.06
2zxwB-2bufA:
21.69
2zxwT-2bufA:
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.
2nlk PROTEIN TYROSINE
PHOSPHATASE,
RECEPTOR TYPE, G
VARIANT (FRAGMENT)

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 MET A1029
GLY A1030
TRP A1026
GLN A1104
THR A1069
 None
 1.31A 2zxwA-2nlkA:
0.3
2zxwB-2nlkA:
1.1
2zxwT-2nlkA:
0.0		 2zxwA-2nlkA:
21.20
2zxwB-2nlkA:
16.56
2zxwT-2nlkA:
8.51
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 381
TRP A 351
THR A 435
THR A 434
GLY A 350
 None
None
None
SO4  A1481 (-4.0A)
None
 1.32A 2zxwA-2xhyA:
0.0
2zxwB-2xhyA:
0.0
2zxwT-2xhyA:
0.0		 2zxwA-2xhyA:
20.62
2zxwB-2xhyA:
18.60
2zxwT-2xhyA:
10.37
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 MET A 179
GLU A 170
ARG A 230
PHE A 224
GLY A 222
 None
 1.40A 2zxwA-3bt7A:
0.0
2zxwB-3bt7A:
0.0
2zxwT-3bt7A:
0.0		 2zxwA-3bt7A:
20.94
2zxwB-3bt7A:
20.40
2zxwT-3bt7A:
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.
3ce6 ADENOSYLHOMOCYSTEINA
SE

(Mycobacterium
tuberculosis) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 359
THR A 269
ARG A 406
PHE A  96
GLY A 411
 None
 1.30A 2zxwA-3ce6A:
0.0
2zxwB-3ce6A:
0.0
2zxwT-3ce6A:
0.0		 2zxwA-3ce6A:
22.59
2zxwB-3ce6A:
18.09
2zxwT-3ce6A:
12.00
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 MET A 402
GLY A 399
THR A 392
ARG A 375
GLY A 484
 None
 1.44A 2zxwA-3cvrA:
2.1
2zxwB-3cvrA:
undetectable
2zxwT-3cvrA:
undetectable		 2zxwA-3cvrA:
22.78
2zxwB-3cvrA:
18.50
2zxwT-3cvrA:
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.
3fah ALDEHYDE
OXIDOREDUCTASE

(Desulfovibrio
gigas) 		PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 866
GLN A 655
THR A 704
ARG A 533
GLY A 697
 PCD  A 921 (-3.4A)
PCD  A 921 (-3.6A)
None
PCD  A 921 (-4.0A)
GOL  A 912 ( 3.1A)
 1.36A 2zxwA-3fahA:
undetectable
2zxwB-3fahA:
undetectable
2zxwT-3fahA:
undetectable		 2zxwA-3fahA:
21.15
2zxwB-3fahA:
13.55
2zxwT-3fahA:
7.02
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 GLY A 153
THR A 129
ARG A 112
PHE A 104
GLY A  83
 None
 1.33A 2zxwA-3fgbA:
undetectable
2zxwB-3fgbA:
undetectable
2zxwT-3fgbA:
undetectable		 2zxwA-3fgbA:
20.44
2zxwB-3fgbA:
21.47
2zxwT-3fgbA:
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.
3iay DNA POLYMERASE DELTA
CATALYTIC SUBUNIT

(Saccharomyces
cerevisiae) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 GLY A 263
GLN A 117
THR A 255
ARG A 542
GLY A 545
 None
 1.14A 2zxwA-3iayA:
2.9
2zxwB-3iayA:
undetectable
2zxwT-3iayA:
undetectable		 2zxwA-3iayA:
19.30
2zxwB-3iayA:
12.17
2zxwT-3iayA:
8.11
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.
3m1a PUTATIVE
DEHYDROGENASE

(Streptomyces
avermitilis) 		PF00106
(adh_short) 		5 GLU A  97
THR A  98
THR A  99
ARG A 211
PHE A 196
 None
None
None
None
NA  A 282 ( 4.9A)
 1.10A 2zxwA-3m1aA:
0.5
2zxwB-3m1aA:
undetectable
2zxwT-3m1aA:
undetectable		 2zxwA-3m1aA:
20.88
2zxwB-3m1aA:
21.40
2zxwT-3m1aA:
16.15
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 GLY A  18
ARG A 137
ARG A 135
PHE A 161
GLY A 184
 None
 1.06A 2zxwA-3s9bA:
undetectable
2zxwB-3s9bA:
undetectable
2zxwT-3s9bA:
undetectable		 2zxwA-3s9bA:
19.00
2zxwB-3s9bA:
21.01
2zxwT-3s9bA:
15.53
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A 214
GLU A 201
THR A 230
THR A 231
GLY A  94
 None
 1.38A 2zxwA-3wy7A:
0.2
2zxwB-3wy7A:
undetectable
2zxwT-3wy7A:
undetectable		 2zxwA-3wy7A:
21.19
2zxwB-3wy7A:
19.49
2zxwT-3wy7A:
12.93
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.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 MET A 566
GLY A 565
THR A 544
PHE A 559
GLY A 552
 None
 1.44A 2zxwA-4cgyA:
1.8
2zxwB-4cgyA:
undetectable
2zxwT-4cgyA:
undetectable		 2zxwA-4cgyA:
20.21
2zxwB-4cgyA:
12.96
2zxwT-4cgyA:
9.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 597
THR A 482
THR A 483
PHE A 444
GLY A 643
 None
 1.43A 2zxwA-4cu8A:
undetectable
2zxwB-4cu8A:
undetectable
2zxwT-4cu8A:
undetectable		 2zxwA-4cu8A:
20.58
2zxwB-4cu8A:
14.29
2zxwT-4cu8A:
7.93
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 MET A 356
GLY A 355
THR A 110
THR A 112
PHE A 466
 None
 1.33A 2zxwA-4j9uA:
4.5
2zxwB-4j9uA:
undetectable
2zxwT-4j9uA:
undetectable		 2zxwA-4j9uA:
23.60
2zxwB-4j9uA:
18.89
2zxwT-4j9uA:
10.92
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.
4qa9 EPOXIDE HYDROLASE

(Streptomyces
carzinostaticus) 		PF06441
(EHN) 		5 GLU A  71
THR A  70
THR A  69
ARG A 151
GLY A 135
 None
 1.46A 2zxwA-4qa9A:
undetectable
2zxwB-4qa9A:
undetectable
2zxwT-4qa9A:
undetectable		 2zxwA-4qa9A:
21.32
2zxwB-4qa9A:
21.63
2zxwT-4qa9A:
9.54
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.34A 2zxwA-4qdgA:
undetectable
2zxwB-4qdgA:
undetectable
2zxwT-4qdgA:
undetectable		 2zxwA-4qdgA:
20.49
2zxwB-4qdgA:
23.20
2zxwT-4qdgA:
13.97
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 GLY A 323
THR A 359
THR A 360
PHE A 594
GLY A 593
 None
 1.49A 2zxwA-5dmyA:
undetectable
2zxwB-5dmyA:
undetectable
2zxwT-5dmyA:
undetectable		 2zxwA-5dmyA:
19.59
2zxwB-5dmyA:
12.15
2zxwT-5dmyA:
7.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B  39
THR B  73
ARG B  94
PHE B 100
GLY B  92
 None
 1.19A 2zxwA-5gq0B:
undetectable
2zxwB-5gq0B:
undetectable
2zxwT-5gq0B:
undetectable		 2zxwA-5gq0B:
20.15
2zxwB-5gq0B:
18.62
2zxwT-5gq0B:
12.46
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.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		5 GLY B  49
THR B 317
THR B 316
ARG B  30
GLY B 359
 None
 1.48A 2zxwA-5k1bB:
undetectable
2zxwB-5k1bB:
undetectable
2zxwT-5k1bB:
undetectable		 2zxwA-5k1bB:
20.86
2zxwB-5k1bB:
15.62
2zxwT-5k1bB:
9.01
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.
5kqi CATALASE-PEROXIDASE

(Burkholderia
pseudomallei) 		PF00141
(peroxidase) 		5 GLY A 104
THR A 333
THR A 331
PHE A 182
GLY A 277
 HEM  A 801 (-3.4A)
None
None
None
None
 1.42A 2zxwA-5kqiA:
1.8
2zxwB-5kqiA:
undetectable
2zxwT-5kqiA:
undetectable		 2zxwA-5kqiA:
20.60
2zxwB-5kqiA:
16.18
2zxwT-5kqiA:
8.52
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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 MET A 543
GLY A 541
GLU A 478
THR A 475
GLY A 534
 None
 1.48A 2zxwA-5u25A:
undetectable
2zxwB-5u25A:
undetectable
2zxwT-5u25A:
undetectable		 2zxwA-5u25A:
20.66
2zxwB-5u25A:
15.97
2zxwT-5u25A:
9.34
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.
5u39 UDP-3-O-ACYL-N-ACETY
LGLUCOSAMINE
DEACETYLASE

(Pseudomonas
aeruginosa) 		PF03331
(LpxC) 		5 MET A  83
GLY A  85
GLN A 115
PHE A 112
GLY A 108
 None
 1.35A 2zxwA-5u39A:
undetectable
2zxwB-5u39A:
undetectable
2zxwT-5u39A:
undetectable		 2zxwA-5u39A:
18.96
2zxwB-5u39A:
22.26
2zxwT-5u39A:
13.18
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.
5whs CATALASE-PEROXIDASE

(Neurospora
crassa) 		no annotation 5 GLY A  83
THR A 333
THR A 331
PHE A 161
GLY A 277
 HEM  A 800 (-3.7A)
None
None
None
None
 1.45A 2zxwA-5whsA:
0.8
2zxwB-5whsA:
undetectable
2zxwT-5whsA:
undetectable		 2zxwA-5whsA:
undetectable
2zxwB-5whsA:
undetectable
2zxwT-5whsA:
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.
5yb7 L-AMINO ACID
OXIDASE/MONOOXYGENAS
E

(Pseudomonas sp.
AIU 813) 		no annotation 5 GLY A 519
GLU A 518
THR A  16
THR A 252
PHE A  22
 None
 1.43A 2zxwA-5yb7A:
undetectable
2zxwB-5yb7A:
undetectable
2zxwT-5yb7A:
undetectable		 2zxwA-5yb7A:
undetectable
2zxwB-5yb7A:
undetectable
2zxwT-5yb7A:
undetectable