SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4neg'

List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1FM4_A_DXCA1001_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 PHE A 245
PRO A 247
PHE A 248
PRO A 228
GLN A 219
 None
 1.31A 1fm4A-4negA:
undetectable		 1fm4A-4negA:
19.73
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.
2YVL_C_SAMC604_0
(HYPOTHETICAL PROTEIN)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 THR A 114
ILE A 191
GLY A 120
VAL A 150
VAL A 135
 SO4  A 401 (-3.3A)
None
None
None
None
 1.22A 2yvlC-4negA:
3.1		 2yvlC-4negA:
21.97
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.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		4 / 6 TYR A 361
ALA A 362
LEU A 365
ALA A 230
 None
 0.85A 3b6hA-4negA:
undetectable		 3b6hA-4negA:
21.57
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.
3B6H_B_MXDB551_1
(PROSTACYCLIN
SYNTHASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		4 / 6 TYR A 361
ALA A 362
LEU A 365
ALA A 230
 None
 0.78A 3b6hB-4negA:
undetectable		 3b6hB-4negA:
21.57
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.
4G1B_D_ECND403_1
(FLAVOHEMOGLOBIN)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 ILE A 349
THR A 344
GLN A 341
LEU A 343
VAL A 359
 None
 1.13A 4g1bD-4negA:
2.7		 4g1bD-4negA:
23.38
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.
4IAQ_A_2GMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 1B AND E.
COLI SOLUBLE
CYTOCHROME B562)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		4 / 6 ILE A 212
THR A  60
VAL A 205
SER A 380
 None
 1.06A 4iaqA-4negA:
undetectable		 4iaqA-4negA:
23.96
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.
5N0O_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 GLY A 139
VAL A 150
TYR A 190
ALA A 177
VAL A 135
 None
 1.16A 5n0oA-4negA:
undetectable		 5n0oA-4negA:
23.98
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.
5N0O_B_SAMB501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 GLY A 139
VAL A 150
TYR A 190
ALA A 177
VAL A 135
 None
 1.16A 5n0oB-4negA:
2.3		 5n0oB-4negA:
23.98
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.
5N0R_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 GLY A 139
VAL A 150
TYR A 190
ALA A 177
VAL A 135
 None
 1.19A 5n0rA-4negA:
undetectable		 5n0rA-4negA:
23.13
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.
5N0W_A_SAMA501_0
(PEPTIDE
N-METHYLTRANSFERASE)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		5 / 12 GLY A 139
VAL A 150
TYR A 190
ALA A 177
VAL A 135
 None
 1.20A 5n0wA-4negA:
undetectable		 5n0wA-4negA:
23.35
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.
6HD4_B_STIB602_1
(TYROSINE-PROTEIN
KINASE ABL1)		 4neg TRYPTOPHAN SYNTHASE
BETA CHAIN
(Bacillus
anthracis) 		4 / 6 LEU A 353
VAL A 231
PHE A 340
GLY A 383
 None
 0.87A 6hd4B-4negA:
undetectable		 6hd4B-4negA:
11.98