SIMILAR PATTERNS OF AMINO ACIDS FOR 4AT2_A_ASDA1490

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.
1ddh MHC CLASS I H-2DD
HEAVY CHAIN

(Mus musculus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 GLU A 166
VAL A 103
TYR A 159
PHE A  33
TYR A   7
 None
 1.50A 4at2A-1ddhA:
0.0		 4at2A-1ddhA:
18.92
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.
1ox4 IMIDAZOLE GLYCEROL
PHOSPHATE SYNTHASE
HISHF

(Saccharomyces
cerevisiae) 		PF00117
(GATase)
PF00977
(His_biosynth) 		5 ALA B 519
THR B 328
PHE B 508
TYR B 480
SER B 499
 None
 1.25A 4at2A-1ox4B:
0.0		 4at2A-1ox4B:
24.38
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.
2wae PENICILLIN-BINDING
PROTEIN 2B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 ALA A 439
THR A 451
PHE A 432
TYR A 425
SER A 423
 None
 1.42A 4at2A-2waeA:
0.0		 4at2A-2waeA:
23.67
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.
3hv0 TRYPTOPHANYL-TRNA
SYNTHETASE

(Cryptosporidium
parvum) 		PF00579
(tRNA-synt_1b) 		5 GLU A 363
ALA A 403
VAL A 400
TYR A 446
SER A 408
 None
 1.48A 4at2A-3hv0A:
0.0		 4at2A-3hv0A:
19.00
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.
3owa ACYL-COA
DEHYDROGENASE

(Bacillus
anthracis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLU A 367
ALA A 318
VAL A 274
PHE A 532
SER A 498
 None
None
None
1PE  A 602 (-4.4A)
None
 1.37A 4at2A-3owaA:
0.0		 4at2A-3owaA:
23.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		9 GLU A 137
GLU A 290
ALA A 292
VAL A 294
TYR A 319
THR A 354
PHE A 427
TYR A 466
SER A 468
 ACT  A1491 (-4.2A)
ACT  A1490 ( 4.4A)
None
None
None
None
FAD  A1493 (-4.2A)
ACT  A1490 ( 4.4A)
ACT  A1490 (-2.6A)
 0.47A 4at2A-4at0A:
68.5		 4at2A-4at0A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		6 TRP A 136
GLU A 137
GLU A 290
ALA A 292
PHE A 427
TYR A 466
 None
ACT  A1491 (-4.2A)
ACT  A1490 ( 4.4A)
None
FAD  A1493 (-4.2A)
ACT  A1490 ( 4.4A)
 1.20A 4at2A-4at0A:
68.5		 4at2A-4at0A:
100.00
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.
4p3w FILAMIN-A

(Homo sapiens) 		PF00630
(Filamin) 		5 GLU A2282
ALA A2253
VAL A2255
TYR A2305
SER A2279
 None
 1.06A 4at2A-4p3wA:
0.0		 4at2A-4p3wA:
15.84
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.
6bnf PHOSPHOETHANOLAMINE
TRANSFERASE

(Moraxella sp.
HMSC061H09) 		no annotation 5 GLU A 501
ALA A 277
PHE A 290
TYR A 495
SER A 497
 None
 1.48A 4at2A-6bnfA:
0.0		 4at2A-6bnfA:
10.39