SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMP_B_CHDB303

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 6nmpA-1bhyA:
0.0
6nmpB-1bhyA:
0.0
6nmpT-1bhyA:
0.0		 6nmpA-1bhyA:
20.07
6nmpB-1bhyA:
18.46
6nmpT-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.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 119
GLN A 372
THR A 391
ARG A  19
GLY A 125
 None
 1.31A 6nmpA-2gskA:
undetectable
6nmpB-2gskA:
0.0
6nmpT-2gskA:
0.0		 6nmpA-2gskA:
21.56
6nmpB-2gskA:
14.48
6nmpT-2gskA:
10.11
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.
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 6nmpA-3cvrA:
0.0
6nmpB-3cvrA:
0.0
6nmpT-3cvrA:
0.0		 6nmpA-3cvrA:
22.78
6nmpB-3cvrA:
18.50
6nmpT-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.
3faj PUTATIVE
UNCHARACTERIZED
PROTEIN

(Acidianus
two-tailed
virus) 		no annotation 5 GLY A  14
GLN A 108
THR A 107
THR A  51
GLY A   9
 None
None
None
CL  A 132 (-4.0A)
None
 1.50A 6nmpA-3fajA:
0.0
6nmpB-3fajA:
undetectable
6nmpT-3fajA:
0.0		 6nmpA-3fajA:
15.27
6nmpB-3fajA:
21.89
6nmpT-3fajA:
19.46
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.
3hn0 NITRATE TRANSPORT
PROTEIN

(Parabacteroides
distasonis) 		no annotation 5 GLY A 199
GLN A 202
THR A 203
ARG A 137
GLY A 275
 None
 1.46A 6nmpA-3hn0A:
0.0
6nmpB-3hn0A:
0.3
6nmpT-3hn0A:
0.0		 6nmpA-3hn0A:
19.48
6nmpB-3hn0A:
21.92
6nmpT-3hn0A:
15.47
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.
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
 1.42A 6nmpA-3wy7A:
0.0
6nmpB-3wy7A:
0.0
6nmpT-3wy7A:
0.0		 6nmpA-3wy7A:
21.19
6nmpB-3wy7A:
19.49
6nmpT-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.
5ftf TPR DOMAIN PROTEIN

(Bacteroides sp.
3_1_23) 		PF05970
(PIF1) 		5 GLY A 141
THR A  36
THR A  35
ARG A 202
GLY A 365
 None
ADP  A1432 (-3.5A)
ADP  A1432 (-3.5A)
None
None
 1.39A 6nmpA-5ftfA:
0.0
6nmpB-5ftfA:
0.0
6nmpT-5ftfA:
0.0		 6nmpA-5ftfA:
20.85
6nmpB-5ftfA:
20.09
6nmpT-5ftfA:
10.20
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		5 MET A 659
GLY A 658
GLN A 770
THR A 766
GLY A 651
 None
 1.46A 6nmpA-5gl7A:
0.6
6nmpB-5gl7A:
0.0
6nmpT-5gl7A:
0.0		 6nmpA-5gl7A:
20.77
6nmpB-5gl7A:
16.40
6nmpT-5gl7A:
8.85
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.
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 6nmpA-5u25A:
0.0
6nmpB-5u25A:
0.0
6nmpT-5u25A:
0.0		 6nmpA-5u25A:
20.66
6nmpB-5u25A:
15.97
6nmpT-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.
6brd RIFAMPIN
MONOOXYGENASE

(Streptomyces
venezuelae) 		no annotation 5 GLY A   9
GLN A  98
GLU A 102
THR A  37
GLY A 152
 FAD  A 501 ( 4.9A)
FAD  A 501 (-3.4A)
None
None
FAD  A 501 (-3.2A)
 1.36A 6nmpA-6brdA:
0.0
6nmpB-6brdA:
0.0
6nmpT-6brdA:
undetectable		 6nmpA-6brdA:
undetectable
6nmpB-6brdA:
undetectable
6nmpT-6brdA:
undetectable