SIMILAR PATTERNS OF AMINO ACIDS FOR 2VAV_L_CSCL1383_2

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.
1x87 UROCANASE PROTEIN

(Geobacillus
stearothermophilus) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 THR A 182
LEU A 179
MET A 183
MET A 220
 None
 1.50A 2vavL-1x87A:
0.0		 2vavL-1x87A:
23.23
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.
2br4 CEPHALOSPORIN
HYDROXYLASE CMCI

(Streptomyces
clavuligerus) 		PF04989
(CmcI) 		4 THR A 103
LEU A 102
MET A 106
MET A 129
 None
 1.35A 2vavL-2br4A:
1.9		 2vavL-2br4A:
20.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2vat ACETYL-COA--DEACETYL
CEPHALOSPORIN C
ACETYLTRANSFERASE

(Acremonium
chrysogenum) 		PF00561
(Abhydrolase_1) 		4 THR A  58
LEU A  59
MET A 150
MET A 367
 COA  A1383 ( 4.1A)
None
None
COA  A1383 (-3.6A)
 0.13A 2vavL-2vatA:
58.3		 2vavL-2vatA:
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.
3ibr BACTERIOPHYTOCHROME

(Pseudomonas
aeruginosa) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		4 THR A 155
LEU A 151
MET A 154
MET A 279
 None
 1.27A 2vavL-3ibrA:
0.0		 2vavL-3ibrA:
23.78
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.
3jbl NLR FAMILY CARD
DOMAIN-CONTAINING
PROTEIN 4

(Mus musculus) 		no annotation 4 THR K 716
LEU K 717
MET K 714
MET K 793
 None
 0.74A 2vavL-3jblK:
1.6		 2vavL-3jblK:
18.11
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.
3rwk INULINASE

(Aspergillus
ficuum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		4 THR X 255
LEU X 268
MET X 254
MET X 319
 None
 1.47A 2vavL-3rwkX:
0.0		 2vavL-3rwkX:
22.50
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.
4gnx PUTATIVE
UNCHARACTERIZED
PROTEIN

(Ustilago maydis) 		PF01336
(tRNA_anti-codon)
PF08646
(Rep_fac-A_C)
PF16900
(REPA_OB_2) 		4 THR C 357
LEU C 356
MET C 395
MET C 448
 None
 1.26A 2vavL-4gnxC:
0.0		 2vavL-4gnxC:
23.53
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		4 THR A 381
LEU A 385
MET A 382
MET A 355
 None
 1.42A 2vavL-4q9dA:
1.2		 2vavL-4q9dA:
22.58
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.
5myu TYPE VI SECRETION
SYSTEM PROTEIN IMPC

(Vibrio cholerae) 		PF05943
(VipB) 		4 THR A 348
LEU A 347
MET A 349
MET A 477
 None
 1.48A 2vavL-5myuA:
0.0		 2vavL-5myuA:
20.04
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.
6fkh ATP SYNTHASE GAMMA
CHAIN, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 4 THR g 321
LEU g 220
MET g 320
MET g 136
 None
 1.50A 2vavL-6fkhg:
0.0		 2vavL-6fkhg:
11.54