SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2c21'

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.
1V8B_B_ADNB1502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		3 / 3 GLU A 124
GLU A 120
LEU A  27
 None
NI  A1143 (-2.8A)
None
 0.77A 1v8bB-2c21A:
2.2		 1v8bB-2c21A:
15.25
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.
3ABK_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		4 / 5 ILE A  78
TYR A  49
MET A  29
THR A  24
 None
 1.48A 3abkN-2c21A:
undetectable
3abkW-2c21A:
undetectable		 3abkN-2c21A:
13.40
3abkW-2c21A:
17.27
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.
4JEC_B_478B401_3
(HIV-1 PROTEASE)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		3 / 3 ASP A 113
LEU A  27
VAL A  31
 None
 0.68A 4jecB-2c21A:
undetectable		 4jecB-2c21A:
21.38
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.
5ECN_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		4 / 8 ILE A  80
ALA A 109
VAL A 111
VAL A  82
 None
 0.67A 5ecnD-2c21A:
undetectable		 5ecnD-2c21A:
12.72
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		4 / 8 TYR A 117
LEU A  60
LEU A  58
THR A  56
 None
 1.12A 5hs6A-2c21A:
undetectable		 5hs6A-2c21A:
21.86
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		 2c21 TRYPANOTHIONE-DEPEND
ENT GLYOXALASE I
(Leishmania
major) 		5 / 12 ASP A  15
LEU A  58
LEU A  60
ASP A 113
ASP A 115
 None
 1.33A 6n91A-2c21A:
undetectable		 6n91A-2c21A:
22.07