SIMILAR PATTERNS OF AMINO ACIDS FOR 2QK8_A_MTXA200_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.
1vef ACETYLORNITHINE/ACET
YL-LYSINE
AMINOTRANSFERASE

(Thermus
thermophilus) 		PF00202
(Aminotran_3) 		4 MET A  88
LEU A 262
ASN A 287
THR A  95
 None
 1.45A 2qk8A-1vefA:
1.4		 2qk8A-1vefA:
17.97
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.
2wdw PUTATIVE HEXOSE
OXIDASE

(Nonomuraea
gerenzanensis) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		4 MET A 108
LEU A 124
ASN A 129
THR A  67
 None
 1.44A 2qk8A-2wdwA:
0.0		 2qk8A-2wdwA:
13.85
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.
3dkh LACCASE-1

(Melanocarpus
albomyces) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 MET A 480
LEU A 513
ASN A 421
THR A 478
 None
CU  A 601 ( 4.6A)
None
None
 1.49A 2qk8A-3dkhA:
0.0		 2qk8A-3dkhA:
13.42
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.
3wv4 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 MET A  48
LEU A 233
ASN A  88
THR A 240
 None
 1.50A 2qk8A-3wv4A:
0.3		 2qk8A-3wv4A:
16.17
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.
3wvn NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Streptomyces
halstedii) 		PF00501
(AMP-binding) 		4 MET A  48
LEU A 233
ASN A  88
THR A 240
 None
 1.48A 2qk8A-3wvnA:
0.0		 2qk8A-3wvnA:
14.47
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		4 MET A 182
LEU A 341
ASN A 343
THR A 410
 None
 1.35A 2qk8A-4ainA:
undetectable		 2qk8A-4ainA:
13.65
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.
5lx0 DIPEPTIDASE

(Aspergillus
fumigatus) 		PF01244
(Peptidase_M19) 		4 MET A  29
LEU A 101
ASN A  36
THR A  53
 None
 1.49A 2qk8A-5lx0A:
0.0		 2qk8A-5lx0A:
16.50