SIMILAR PATTERNS OF AMINO ACIDS FOR 3ABL_B_CHDB1086_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.
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
 1.42A 3ablA-1d2eA:
0.0
3ablB-1d2eA:
0.0
3ablT-1d2eA:
0.0		 3ablA-1d2eA:
21.96
3ablB-1d2eA:
19.61
3ablT-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
 1.21A 3ablA-1k5sB:
0.3
3ablB-1k5sB:
0.0
3ablT-1k5sB:
0.0		 3ablA-1k5sB:
20.53
3ablB-1k5sB:
17.45
3ablT-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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A  79
GLN A  62
GLU A  80
PHE A 464
GLY A 190
 None
None
None
None
FAD  A 501 (-3.4A)
 1.47A 3ablA-1zr6A:
0.6
3ablB-1zr6A:
0.0
3ablT-1zr6A:
0.0		 3ablA-1zr6A:
21.86
3ablB-1zr6A:
17.47
3ablT-1zr6A:
10.75
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 136
GLN A 150
THR A 110
PHE A 167
GLY A 183
 None
 1.28A 3ablA-1zwxA:
undetectable
3ablB-1zwxA:
0.0
3ablT-1zwxA:
0.0		 3ablA-1zwxA:
19.15
3ablB-1zwxA:
20.85
3ablT-1zwxA:
12.54
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 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
 1.37A 3ablA-2bufA:
0.0
3ablB-2bufA:
0.0
3ablT-2bufA:
0.0		 3ablA-2bufA:
22.06
3ablB-2bufA:
21.69
3ablT-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
 1.22A 3ablA-2ddtA:
0.0
3ablB-2ddtA:
0.0
3ablT-2ddtA:
0.0		 3ablA-2ddtA:
18.60
3ablB-2ddtA:
19.03
3ablT-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
 1.38A 3ablA-2quaA:
0.0
3ablB-2quaA:
0.5
3ablT-2quaA:
0.0		 3ablA-2quaA:
21.91
3ablB-2quaA:
15.42
3ablT-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.
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 GLY B 582
GLN B 517
GLU B 580
ARG B 499
GLY A 196
 None
 1.41A 3ablA-2rhqB:
0.0
3ablB-2rhqB:
0.0
3ablT-2rhqB:
0.0		 3ablA-2rhqB:
21.17
3ablB-2rhqB:
15.60
3ablT-2rhqB:
7.14
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.
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
 1.36A 3ablA-2xhyA:
0.0
3ablB-2xhyA:
undetectable
3ablT-2xhyA:
undetectable		 3ablA-2xhyA:
20.62
3ablB-2xhyA:
18.60
3ablT-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
 1.39A 3ablA-3bt7A:
undetectable
3ablB-3bt7A:
undetectable
3ablT-3bt7A:
undetectable		 3ablA-3bt7A:
20.94
3ablB-3bt7A:
20.40
3ablT-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
 1.26A 3ablA-3ce6A:
0.0
3ablB-3ce6A:
undetectable
3ablT-3ce6A:
undetectable		 3ablA-3ce6A:
22.59
3ablB-3ce6A:
18.09
3ablT-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
 1.45A 3ablA-3cvrA:
0.7
3ablB-3cvrA:
undetectable
3ablT-3cvrA:
undetectable		 3ablA-3cvrA:
22.78
3ablB-3cvrA:
18.50
3ablT-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.
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
 1.25A 3ablA-3k55A:
undetectable
3ablB-3k55A:
undetectable
3ablT-3k55A:
undetectable		 3ablA-3k55A:
19.58
3ablB-3k55A:
18.91
3ablT-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.
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
 1.44A 3ablA-3vrbA:
1.2
3ablB-3vrbA:
undetectable
3ablT-3vrbA:
undetectable		 3ablA-3vrbA:
22.27
3ablB-3vrbA:
15.62
3ablT-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
 1.35A 3ablA-3wy7A:
0.1
3ablB-3wy7A:
undetectable
3ablT-3wy7A:
undetectable		 3ablA-3wy7A:
21.19
3ablB-3wy7A:
19.49
3ablT-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
 1.45A 3ablA-4cgyA:
1.8
3ablB-4cgyA:
undetectable
3ablT-4cgyA:
undetectable		 3ablA-4cgyA:
20.21
3ablB-4cgyA:
12.96
3ablT-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
GLU A 505
THR A 482
PHE A 444
GLY A 643
 None
 1.30A 3ablA-4cu8A:
undetectable
3ablB-4cu8A:
undetectable
3ablT-4cu8A:
undetectable		 3ablA-4cu8A:
20.58
3ablB-4cu8A:
14.29
3ablT-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.
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
 1.39A 3ablA-4cu8A:
undetectable
3ablB-4cu8A:
undetectable
3ablT-4cu8A:
undetectable		 3ablA-4cu8A:
20.58
3ablB-4cu8A:
14.29
3ablT-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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 MET A 155
GLY A 154
GLN A 181
ARG A  50
GLY A 190
 None
 1.28A 3ablA-4kkmA:
2.2
3ablB-4kkmA:
undetectable
3ablT-4kkmA:
undetectable		 3ablA-4kkmA:
21.19
3ablB-4kkmA:
21.43
3ablT-4kkmA:
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.
4kkm POLYPRENYL
SYNTHETASE

(Zymomonas
mobilis) 		PF00348
(polyprenyl_synt) 		5 MET A 155
GLY A 154
GLN A 181
PHE A 189
GLY A 190
 None
 1.40A 3ablA-4kkmA:
2.2
3ablB-4kkmA:
undetectable
3ablT-4kkmA:
undetectable		 3ablA-4kkmA:
21.19
3ablB-4kkmA:
21.43
3ablT-4kkmA:
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.
4qdg PUTATIVE ADHESIN

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		5 MET A 175
THR A  67
ARG A 253
PHE A 119
GLY A 153
 None
 1.36A 3ablA-4qdgA:
undetectable
3ablB-4qdgA:
undetectable
3ablT-4qdgA:
undetectable		 3ablA-4qdgA:
20.49
3ablB-4qdgA:
23.20
3ablT-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 3ablA-5dmyA:
undetectable
3ablB-5dmyA:
undetectable
3ablT-5dmyA:
undetectable		 3ablA-5dmyA:
19.59
3ablB-5dmyA:
12.15
3ablT-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.
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
 1.47A 3ablA-5kqiA:
undetectable
3ablB-5kqiA:
undetectable
3ablT-5kqiA:
undetectable		 3ablA-5kqiA:
20.60
3ablB-5kqiA:
16.18
3ablT-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.
5wn9 SCFV 2D10

(Homo sapiens) 		no annotation 5 MET H  48
GLY H  49
GLN H 233
THR H 235
GLY H  97
 None
 1.12A 3ablA-5wn9H:
undetectable
3ablB-5wn9H:
undetectable
3ablT-5wn9H:
undetectable		 3ablA-5wn9H:
undetectable
3ablB-5wn9H:
undetectable
3ablT-5wn9H:
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
 1.44A 3ablA-5yb7A:
undetectable
3ablB-5yb7A:
undetectable
3ablT-5yb7A:
undetectable		 3ablA-5yb7A:
undetectable
3ablB-5yb7A:
undetectable
3ablT-5yb7A:
undetectable