SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2k2q'

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.
1GTB_A_PZQA901_0
(GLUTATHIONE
S-TRANSFERASE)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		3 / 3 GLN B 115
TYR B 164
ARG B 165
 None
 0.92A 1gtbA-2k2qB:
undetectable		 1gtbA-2k2qB:
19.84
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.
1P33_C_MTXC353_1
(PTERIDINE REDUCTASE
1)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		5 / 12 PHE B   8
ASP B  77
LEU B  64
TYR B  68
LEU B  16
 None
 1.38A 1p33C-2k2qB:
undetectable		 1p33C-2k2qB:
21.59
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.
2IGT_A_SAMA1001_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		3 / 3 ASP B 213
ASP B 190
ASP B 196
 None
 0.59A 2igtA-2k2qB:
undetectable		 2igtA-2k2qB:
21.99
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.
2IGT_B_SAMB1002_1
(SAM DEPENDENT
METHYLTRANSFERASE)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		3 / 3 ASP B 213
ASP B 190
ASP B 196
 None
 0.57A 2igtB-2k2qB:
undetectable		 2igtB-2k2qB:
21.99
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		4 / 7 PHE B  83
THR B 208
VAL B 109
ILE B 111
 None
 0.71A 5ik1A-2k2qB:
undetectable		 5ik1A-2k2qB:
20.96
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.
5IL1_A_SAMA601_0
(METTL3)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		5 / 12 PRO B 158
LEU B 188
SER B 162
ARG B 161
GLY B 199
 None
 1.07A 5il1A-2k2qB:
undetectable		 5il1A-2k2qB:
23.17
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.
5XOO_A_ADNA506_1
(GLYCOSAMINOGLYCAN
XYLOSYLKINASE)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		4 / 6 TYR B  68
LEU B   4
GLU B  41
LEU B  43
 None
 1.30A 5xooA-2k2qB:
undetectable		 5xooA-2k2qB:
16.24
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.
6CDU_E_EY4E500_0
(CHIMERIC ALPHA1GABAA
RECEPTOR)		 2k2q SURFACTIN SYNTHETASE
THIOESTERASE SUBUNIT
(Bacillus
subtilis) 		4 / 8 VAL B 152
PRO B 116
ALA B 166
TYR B 164
 None
 0.91A 6cduD-2k2qB:
undetectable
6cduE-2k2qB:
undetectable		 6cduD-2k2qB:
20.18
6cduE-2k2qB:
20.18