SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2hw2'

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.
1ACJ_A_THAA999_1
(ACETYLCHOLINESTERASE)		 2hw2 RIFAMPIN ADP-RIBOSYL
TRANSFERASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 TRP A 115
GLY A  60
GLU A  62
HIS A 118
GLY A 117
 None
RFP  A1200 (-3.4A)
None
None
None
 1.19A 1acjA-2hw2A:
undetectable		 1acjA-2hw2A:
14.10
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		 2hw2 RIFAMPIN ADP-RIBOSYL
TRANSFERASE
(Mycolicibacteriu
m
smegmatis) 		5 / 9 LEU A 112
GLY A  15
ALA A  16
VAL A 109
ILE A  74
 None
 0.95A 3oxvC-2hw2A:
undetectable		 3oxvC-2hw2A:
21.01
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.
4AE1_A_NCAA1536_0
(DIPHTHERIA TOXIN)		 2hw2 RIFAMPIN ADP-RIBOSYL
TRANSFERASE
(Mycolicibacteriu
m
smegmatis) 		4 / 6 HIS A  19
GLY A  20
TYR A  49
ALA A  57
 None
None
GLY  A 144 (-3.8A)
None
 0.55A 4ae1A-2hw2A:
4.2		 4ae1A-2hw2A:
undetectable