SIMILAR PATTERNS OF AMINO ACIDS FOR 6NMP_O_CHDO302

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 GLY A 539
MET A 548
GLY A 546
GLU A 483
THR A 480
 None
 1.48A 6nmpG-1bhyA:
0.0
6nmpN-1bhyA:
0.0
6nmpO-1bhyA:
0.0		 6nmpG-1bhyA:
9.54
6nmpN-1bhyA:
20.07
6nmpO-1bhyA:
18.46
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.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 ARG A 153
GLY A 147
GLY A 214
THR A 226
THR A 227
 None
 1.50A 6nmpG-2cdqA:
0.0
6nmpN-2cdqA:
0.9
6nmpO-2cdqA:
0.0		 6nmpG-2cdqA:
9.92
6nmpN-2cdqA:
22.15
6nmpO-2cdqA:
20.65
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
 1.46A 6nmpG-2quaA:
0.0
6nmpN-2quaA:
0.0
6nmpO-2quaA:
0.4		 6nmpG-2quaA:
9.09
6nmpN-2quaA:
21.91
6nmpO-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.
2va1 URIDYLATE KINASE

(Ureaplasma
parvum) 		PF00696
(AA_kinase) 		5 GLY A  56
MET A  72
GLY A  73
THR A 137
THR A 138
 None
None
None
None
PO4  A1236 (-3.2A)
 1.40A 6nmpG-2va1A:
0.0
6nmpN-2va1A:
0.1
6nmpO-2va1A:
0.0		 6nmpG-2va1A:
14.29
6nmpN-2va1A:
17.28
6nmpO-2va1A:
17.84
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 ARG A 486
GLY A 441
MET A 488
GLY A 489
THR A 300
 None
 1.24A 6nmpG-3al8A:
0.0
6nmpN-3al8A:
undetectable
6nmpO-3al8A:
0.0		 6nmpG-3al8A:
8.99
6nmpN-3al8A:
21.01
6nmpO-3al8A:
17.63
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
 1.45A 6nmpG-3cvrA:
0.0
6nmpN-3cvrA:
1.7
6nmpO-3cvrA:
0.0		 6nmpG-3cvrA:
9.07
6nmpN-3cvrA:
22.78
6nmpO-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.
3k1j ATP-DEPENDENT
PROTEASE LON

(Thermococcus
onnurineus) 		PF01078
(Mg_chelatase)
PF05362
(Lon_C)
PF13654
(AAA_32) 		5 MET A 233
GLY A 232
GLN A 272
THR A 270
THR A 283
 None
 1.31A 6nmpG-3k1jA:
0.0
6nmpN-3k1jA:
0.0
6nmpO-3k1jA:
0.0		 6nmpG-3k1jA:
10.52
6nmpN-3k1jA:
22.45
6nmpO-3k1jA:
16.19
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.
3rxz POLYSACCHARIDE
DEACETYLASE

(Mycolicibacterium
smegmatis) 		PF01522
(Polysacc_deac_1) 		5 ARG A 245
GLY A  60
GLN A  53
GLU A  33
THR A  83
 None
 1.21A 6nmpG-3rxzA:
0.0
6nmpN-3rxzA:
0.1
6nmpO-3rxzA:
0.0		 6nmpG-3rxzA:
15.81
6nmpN-3rxzA:
20.83
6nmpO-3rxzA:
22.07
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.
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
 1.28A 6nmpG-3wy7A:
0.0
6nmpN-3wy7A:
0.0
6nmpO-3wy7A:
0.0		 6nmpG-3wy7A:
12.93
6nmpN-3wy7A:
21.19
6nmpO-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.
5u25 DIHYDROLIPOAMIDE
DEHYDROGENASE (E3
COMPONENT OF
PYRUVATE AND
2-OXOGLUTARATE
DEHYDROGENASE
COMPLEXES)

(Neisseria
gonorrhoeae) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 534
MET A 543
GLY A 541
GLU A 478
THR A 475
 None
 1.45A 6nmpG-5u25A:
undetectable
6nmpN-5u25A:
0.0
6nmpO-5u25A:
undetectable		 6nmpG-5u25A:
9.34
6nmpN-5u25A:
20.66
6nmpO-5u25A:
15.97