SIMILAR PATTERNS OF AMINO ACIDS FOR 5B1B_G_CHDG103_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.
1k5s PENICILLIN G ACYLASE
BETA SUBUNIT

(Escherichia
coli) 		PF01804
(Penicil_amidase) 		5 PHE B 531
GLY B 532
MET B 485
GLU B 482
THR B 481
 None
 1.15A 5b1bG-1k5sB:
0.0
5b1bN-1k5sB:
0.0
5b1bO-1k5sB:
0.0		 5b1bG-1k5sB:
12.50
5b1bN-1k5sB:
20.53
5b1bO-1k5sB:
17.45
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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		5 ARG A 197
ARG A 201
GLY A 234
GLN A 177
THR A 257
 NAD  A 600 (-3.9A)
None
None
None
None
 1.46A 5b1bG-1x87A:
0.0
5b1bN-1x87A:
0.0
5b1bO-1x87A:
0.0		 5b1bG-1x87A:
9.12
5b1bN-1x87A:
20.44
5b1bO-1x87A:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 GLY A 262
GLY A  39
GLN A 225
GLU A  42
THR A  45
 None
 1.08A 5b1bG-2ahwA:
0.0
5b1bN-2ahwA:
0.0
5b1bO-2ahwA:
0.0		 5b1bG-2ahwA:
10.23
5b1bN-2ahwA:
21.78
5b1bO-2ahwA:
16.54
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.
2buf ACETYLGLUTAMATE
KINASE

(Pseudomonas
aeruginosa) 		PF00696
(AA_kinase) 		5 ARG A  90
GLY A 105
GLY A  67
GLN A  71
GLU A  40
 NLG  A1302 (-4.3A)
None
NLG  A1302 (-3.3A)
None
None
 1.35A 5b1bG-2bufA:
0.0
5b1bN-2bufA:
0.0
5b1bO-2bufA:
0.0		 5b1bG-2bufA:
14.04
5b1bN-2bufA:
22.06
5b1bO-2bufA:
21.69
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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 PHE A 133
GLY A 149
GLY A 102
GLN A 116
THR A  75
 None
 1.26A 5b1bG-2ddtA:
0.0
5b1bN-2ddtA:
undetectable
5b1bO-2ddtA:
0.0		 5b1bG-2ddtA:
13.07
5b1bN-2ddtA:
18.60
5b1bO-2ddtA:
19.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 174
GLY A 181
GLU A 112
THR A 117
THR A 113
 None
 1.40A 5b1bG-2quaA:
0.0
5b1bN-2quaA:
0.0
5b1bO-2quaA:
0.0		 5b1bG-2quaA:
9.09
5b1bN-2quaA:
21.91
5b1bO-2quaA:
15.42
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN

(Staphylococcus
haemolyticus;
Staphylococcus
haemolyticus) 		PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5) 		5 ARG B 499
GLY A 196
GLY B 582
GLN B 517
GLU B 580
 None
 1.33A 5b1bG-2rhqB:
0.0
5b1bN-2rhqB:
0.0
5b1bO-2rhqB:
0.0		 5b1bG-2rhqB:
7.14
5b1bN-2rhqB:
21.17
5b1bO-2rhqB:
15.60
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.
2xhy 6-PHOSPHO-BETA-GLUCO
SIDASE BGLA

(Escherichia
coli) 		PF00232
(Glyco_hydro_1) 		5 GLY A 350
GLY A 381
TRP A 351
THR A 435
THR A 434
 None
None
None
None
SO4  A1481 (-4.0A)
 1.42A 5b1bG-2xhyA:
0.0
5b1bN-2xhyA:
0.1
5b1bO-2xhyA:
0.0		 5b1bG-2xhyA:
10.37
5b1bN-2xhyA:
20.62
5b1bO-2xhyA:
18.60
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		5 ARG A 230
PHE A 224
GLY A 222
MET A 179
GLU A 170
 None
 1.39A 5b1bG-3bt7A:
undetectable
5b1bN-3bt7A:
0.0
5b1bO-3bt7A:
undetectable		 5b1bG-3bt7A:
13.92
5b1bN-3bt7A:
20.94
5b1bO-3bt7A:
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.
3cvr INVASION PLASMID
ANTIGEN

(Shigella
flexneri) 		PF12468
(TTSSLRR)
PF14496
(NEL) 		5 ARG A 375
GLY A 484
MET A 402
GLY A 399
THR A 392
 None
 1.43A 5b1bG-3cvrA:
undetectable
5b1bN-3cvrA:
1.4
5b1bO-3cvrA:
undetectable		 5b1bG-3cvrA:
9.07
5b1bN-3cvrA:
22.78
5b1bO-3cvrA:
18.50
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 ARG A 112
PHE A 104
GLY A  83
GLY A 153
THR A 129
 None
 1.28A 5b1bG-3fgbA:
undetectable
5b1bN-3fgbA:
undetectable
5b1bO-3fgbA:
undetectable		 5b1bG-3fgbA:
13.33
5b1bN-3fgbA:
20.44
5b1bO-3fgbA:
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.
3hdj PROBABLE ORNITHINE
CYCLODEAMINASE

(Bordetella
pertussis) 		PF02423
(OCD_Mu_crystall) 		5 ARG A  41
ARG A  38
GLY A  53
GLY A 285
GLU A 233
 None
 1.24A 5b1bG-3hdjA:
undetectable
5b1bN-3hdjA:
undetectable
5b1bO-3hdjA:
undetectable		 5b1bG-3hdjA:
12.86
5b1bN-3hdjA:
20.63
5b1bO-3hdjA:
20.69
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 PHE A 132
GLY A 148
GLY A 101
GLN A 115
THR A  75
 None
 1.28A 5b1bG-3k55A:
undetectable
5b1bN-3k55A:
undetectable
5b1bO-3k55A:
undetectable		 5b1bG-3k55A:
14.19
5b1bN-3k55A:
19.58
5b1bO-3k55A:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lp8 PHOSPHORIBOSYLAMINE-
GLYCINE LIGASE

(Ehrlichia
chaffeensis) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		5 MET A 228
GLY A 227
GLN A 294
GLU A 292
THR A 293
 None
 1.36A 5b1bG-3lp8A:
undetectable
5b1bN-3lp8A:
undetectable
5b1bO-3lp8A:
undetectable		 5b1bG-3lp8A:
15.69
5b1bN-3lp8A:
21.88
5b1bO-3lp8A:
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.
3s9b VIPERA RUSSELLI
PROTEINASE RVV-V
GAMMA

(Daboia
siamensis) 		PF00089
(Trypsin) 		5 ARG A 137
ARG A 135
PHE A 161
GLY A 184
GLY A  18
 None
 1.03A 5b1bG-3s9bA:
undetectable
5b1bN-3s9bA:
undetectable
5b1bO-3s9bA:
undetectable		 5b1bG-3s9bA:
15.53
5b1bN-3s9bA:
19.00
5b1bO-3s9bA:
21.01
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.
3vrb FLAVOPROTEIN SUBUNIT
OF COMPLEX II
IRON-SULFUR SUBUNIT
OF SUCCINATE
DEHYDROGENASE

(Ascaris suum;
Ascaris suum) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C)
PF13085
(Fer2_3)
PF13534
(Fer4_17) 		5 ARG A 320
GLY A 279
GLN A  84
GLU B  91
THR A 366
 FUM  A 701 (-3.2A)
None
None
FAD  A 702 ( 4.4A)
None
 1.39A 5b1bG-3vrbA:
undetectable
5b1bN-3vrbA:
1.7
5b1bO-3vrbA:
undetectable		 5b1bG-3vrbA:
8.69
5b1bN-3vrbA:
22.27
5b1bO-3vrbA:
15.62
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.
3wy7 8-AMINO-7-OXONONANOA
TE SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00155
(Aminotran_1_2) 		5 GLY A  94
GLY A 214
GLU A 201
THR A 230
THR A 231
 None
 1.41A 5b1bG-3wy7A:
undetectable
5b1bN-3wy7A:
undetectable
5b1bO-3wy7A:
undetectable		 5b1bG-3wy7A:
12.93
5b1bN-3wy7A:
21.19
5b1bO-3wy7A:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cgy DNA TOPOISOMERASE
3-ALPHA

(Homo sapiens) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 PHE A 559
GLY A 552
MET A 566
GLY A 565
THR A 544
 None
 1.36A 5b1bG-4cgyA:
undetectable
5b1bN-4cgyA:
1.6
5b1bO-4cgyA:
undetectable		 5b1bG-4cgyA:
9.36
5b1bN-4cgyA:
20.21
5b1bO-4cgyA:
12.96
Potential target for repurposing, i.e. matched protein structure has less than 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 PHE A 444
GLY A 643
GLY A 597
GLU A 505
THR A 482
 None
 1.34A 5b1bG-4cu8A:
undetectable
5b1bN-4cu8A:
undetectable
5b1bO-4cu8A:
undetectable		 5b1bG-4cu8A:
7.93
5b1bN-4cu8A:
20.58
5b1bO-4cu8A:
14.29
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 PHE A 444
GLY A 643
GLY A 597
THR A 482
THR A 483
 None
 1.47A 5b1bG-4cu8A:
undetectable
5b1bN-4cu8A:
undetectable
5b1bO-4cu8A:
undetectable		 5b1bG-4cu8A:
7.93
5b1bN-4cu8A:
20.58
5b1bO-4cu8A:
14.29
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.
4htl BETA-GLUCOSIDE
KINASE

(Listeria
monocytogenes) 		PF00480
(ROK) 		5 PHE A 153
GLY A 133
GLY A 242
THR A 175
THR A 176
 None
 1.50A 5b1bG-4htlA:
undetectable
5b1bN-4htlA:
undetectable
5b1bO-4htlA:
undetectable		 5b1bG-4htlA:
14.63
5b1bN-4htlA:
22.05
5b1bO-4htlA:
23.00
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 PHE A 466
MET A 356
GLY A 355
THR A 110
THR A 112
 None
 1.38A 5b1bG-4j9uA:
undetectable
5b1bN-4j9uA:
2.3
5b1bO-4j9uA:
undetectable		 5b1bG-4j9uA:
10.92
5b1bN-4j9uA:
23.60
5b1bO-4j9uA:
18.89
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 ARG A  50
GLY A 190
MET A 155
GLY A 154
GLN A 181
 None
 1.38A 5b1bG-4kkmA:
undetectable
5b1bN-4kkmA:
2.3
5b1bO-4kkmA:
undetectable		 5b1bG-4kkmA:
13.07
5b1bN-4kkmA:
21.19
5b1bO-4kkmA:
21.43
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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 ARG A  44
GLY A 184
MET A 149
GLY A 148
GLN A 175
 IPE  A 301 (-3.1A)
None
GST  A 302 ( 4.1A)
None
None
 1.34A 5b1bG-4llsA:
undetectable
5b1bN-4llsA:
1.5
5b1bO-4llsA:
undetectable		 5b1bG-4llsA:
14.29
5b1bN-4llsA:
20.31
5b1bO-4llsA:
22.93
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 ARG A 207
GLY A 229
GLN A 204
THR A 215
THR A 234
 289  A 414 ( 3.6A)
None
None
None
None
 1.35A 5b1bG-4q1qA:
undetectable
5b1bN-4q1qA:
undetectable
5b1bO-4q1qA:
undetectable		 5b1bG-4q1qA:
12.16
5b1bN-4q1qA:
21.89
5b1bO-4q1qA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 ARG A 253
PHE A 119
GLY A 153
MET A 175
THR A  67
 None
 1.34A 5b1bG-4qdgA:
undetectable
5b1bN-4qdgA:
undetectable
5b1bO-4qdgA:
undetectable		 5b1bG-4qdgA:
13.97
5b1bN-4qdgA:
20.49
5b1bO-4qdgA:
23.20
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ARG B  94
PHE B 100
GLY B  92
GLY B  39
THR B  73
 None
 1.23A 5b1bG-5gq0B:
undetectable
5b1bN-5gq0B:
undetectable
5b1bO-5gq0B:
undetectable		 5b1bG-5gq0B:
12.46
5b1bN-5gq0B:
20.15
5b1bO-5gq0B:
18.62
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG A 592
GLY A 598
MET A 644
GLY A 646
THR A 495
 None
None
None
None
HEM  A 812 (-4.2A)
 1.50A 5b1bG-5mfaA:
undetectable
5b1bN-5mfaA:
0.0
5b1bO-5mfaA:
undetectable		 5b1bG-5mfaA:
8.32
5b1bN-5mfaA:
20.36
5b1bO-5mfaA:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wn9 SCFV 2D10

(Homo sapiens) 		no annotation 5 GLY H  97
MET H  48
GLY H  49
GLN H 233
THR H 235
 None
 1.06A 5b1bG-5wn9H:
undetectable
5b1bN-5wn9H:
undetectable
5b1bO-5wn9H:
undetectable		 5b1bG-5wn9H:
undetectable
5b1bN-5wn9H:
undetectable
5b1bO-5wn9H:
undetectable