SIMILAR PATTERNS OF AMINO ACIDS FOR 3ABK_B_CHDB1085

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.
1d2e ELONGATION FACTOR TU
(EF-TU)

(Bos taurus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 GLY A 172
GLN A 170
THR A 437
PHE A 206
GLY A 207
 None
 1.36A 3abkA-1d2eA:
0.0
3abkB-1d2eA:
0.0
3abkT-1d2eA:
0.0		 3abkA-1d2eA:
21.96
3abkB-1d2eA:
19.61
3abkT-1d2eA:
12.20
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.
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
 1.20A 3abkA-1k5sB:
0.7
3abkB-1k5sB:
0.0
3abkT-1k5sB:
0.0		 3abkA-1k5sB:
20.53
3abkB-1k5sB:
17.45
3abkT-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
 1.48A 3abkA-1x87A:
1.1
3abkB-1x87A:
0.0
3abkT-1x87A:
0.0		 3abkA-1x87A:
20.44
3abkB-1x87A:
18.23
3abkT-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
 1.29A 3abkA-2bufA:
0.7
3abkB-2bufA:
0.0
3abkT-2bufA:
0.0		 3abkA-2bufA:
22.06
3abkB-2bufA:
21.69
3abkT-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.
2ddt SPHINGOMYELIN
PHOSPHODIESTERASE

(Bacillus cereus) 		PF03372
(Exo_endo_phos) 		5 GLY A 102
GLN A 116
THR A  75
PHE A 133
GLY A 149
 None
 1.25A 3abkA-2ddtA:
undetectable
3abkB-2ddtA:
0.0
3abkT-2ddtA:
0.0		 3abkA-2ddtA:
18.60
3abkB-2ddtA:
19.03
3abkT-2ddtA:
13.07
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.
2qua EXTRACELLULAR LIPASE

(Serratia
marcescens) 		no annotation 5 GLY A 181
GLU A 112
THR A 117
THR A 113
GLY A 174
 None
 1.40A 3abkA-2quaA:
0.0
3abkB-2quaA:
0.5
3abkT-2quaA:
0.0		 3abkA-2quaA:
21.91
3abkB-2quaA:
15.42
3abkT-2quaA:
9.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.38A 3abkA-2xhyA:
0.0
3abkB-2xhyA:
0.0
3abkT-2xhyA:
0.0		 3abkA-2xhyA:
20.62
3abkB-2xhyA:
18.60
3abkT-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.
3al8 SEMAPHORIN-6A

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI) 		5 MET A 488
GLY A 489
THR A 300
ARG A 486
GLY A 441
 None
 1.30A 3abkA-3al8A:
undetectable
3abkB-3al8A:
0.0
3abkT-3al8A:
0.0		 3abkA-3al8A:
21.01
3abkB-3al8A:
17.63
3abkT-3al8A:
8.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 3abkA-3bt7A:
0.0
3abkB-3bt7A:
0.0
3abkT-3bt7A:
0.0		 3abkA-3bt7A:
20.94
3abkB-3bt7A:
20.40
3abkT-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
 1.24A 3abkA-3ce6A:
0.4
3abkB-3ce6A:
undetectable
3abkT-3ce6A:
undetectable		 3abkA-3ce6A:
22.59
3abkB-3ce6A:
18.09
3abkT-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
 1.41A 3abkA-3cvrA:
2.1
3abkB-3cvrA:
undetectable
3abkT-3cvrA:
undetectable		 3abkA-3cvrA:
22.78
3abkB-3cvrA:
18.50
3abkT-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.
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
 1.30A 3abkA-3fgbA:
undetectable
3abkB-3fgbA:
undetectable
3abkT-3fgbA:
undetectable		 3abkA-3fgbA:
20.44
3abkB-3fgbA:
21.47
3abkT-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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 101
GLN A 115
THR A  75
PHE A 132
GLY A 148
 None
 1.28A 3abkA-3k55A:
undetectable
3abkB-3k55A:
undetectable
3abkT-3k55A:
undetectable		 3abkA-3k55A:
19.58
3abkB-3k55A:
18.91
3abkT-3k55A:
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.
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
 1.14A 3abkA-3s9bA:
undetectable
3abkB-3s9bA:
undetectable
3abkT-3s9bA:
undetectable		 3abkA-3s9bA:
19.00
3abkB-3s9bA:
21.01
3abkT-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.
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 GLN A  84
GLU B  91
THR A 366
ARG A 320
GLY A 279
 None
FAD  A 702 ( 4.4A)
None
FUM  A 701 (-3.2A)
None
 1.39A 3abkA-3vrbA:
1.6
3abkB-3vrbA:
undetectable
3abkT-3vrbA:
undetectable		 3abkA-3vrbA:
22.27
3abkB-3vrbA:
15.62
3abkT-3vrbA:
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.
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
 1.37A 3abkA-3wy7A:
undetectable
3abkB-3wy7A:
undetectable
3abkT-3wy7A:
undetectable		 3abkA-3wy7A:
21.19
3abkB-3wy7A:
19.49
3abkT-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
 1.41A 3abkA-4cgyA:
1.9
3abkB-4cgyA:
undetectable
3abkT-4cgyA:
undetectable		 3abkA-4cgyA:
20.21
3abkB-4cgyA:
12.96
3abkT-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.
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
 1.38A 3abkA-4j9uA:
4.5
3abkB-4j9uA:
undetectable
3abkT-4j9uA:
undetectable		 3abkA-4j9uA:
23.60
3abkB-4j9uA:
18.89
3abkT-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.
4lls GERANYLTRANSTRANSFER
ASE

(Roseobacter
denitrificans) 		PF00348
(polyprenyl_synt) 		5 MET A 149
GLN A 175
THR A 172
ARG A  44
GLY A 184
 GST  A 302 ( 4.1A)
None
None
IPE  A 301 (-3.1A)
None
 1.48A 3abkA-4llsA:
2.0
3abkB-4llsA:
undetectable
3abkT-4llsA:
undetectable		 3abkA-4llsA:
20.31
3abkB-4llsA:
22.93
3abkT-4llsA:
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.
4q1q ADHESIN/INVASIN TIBA
AUTOTRANSPORTER

(Escherichia
coli) 		PF16168
(AIDA) 		5 GLN A 204
THR A 215
THR A 234
ARG A 207
GLY A 229
 None
None
None
289  A 414 ( 3.6A)
None
 1.31A 3abkA-4q1qA:
undetectable
3abkB-4q1qA:
undetectable
3abkT-4q1qA:
undetectable		 3abkA-4q1qA:
21.89
3abkB-4q1qA:
19.41
3abkT-4q1qA:
12.16
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.
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 3abkA-4qdgA:
undetectable
3abkB-4qdgA:
undetectable
3abkT-4qdgA:
undetectable		 3abkA-4qdgA:
20.49
3abkB-4qdgA:
23.20
3abkT-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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 GLY B  39
THR B  73
ARG B  94
PHE B 100
GLY B  92
 None
 1.22A 3abkA-5gq0B:
undetectable
3abkB-5gq0B:
undetectable
3abkT-5gq0B:
undetectable		 3abkA-5gq0B:
20.15
3abkB-5gq0B:
18.62
3abkT-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.
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
 1.47A 3abkA-5yb7A:
undetectable
3abkB-5yb7A:
undetectable
3abkT-5yb7A:
undetectable		 3abkA-5yb7A:
undetectable
3abkB-5yb7A:
undetectable
3abkT-5yb7A:
undetectable