SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '1o0e'

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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		7 / 10 GLN A  19
GLY A  23
SER A  24
TRP A  26
PHE A  28
SER A  29
HIS A 157
 THJ  A 601 ( 3.8A)
THJ  A 601 (-2.9A)
None
None
None
None
THJ  A 601 (-3.8A)
 0.52A 1stfE-1o0eA:
25.6
1stfI-1o0eA:
undetectable		 1stfE-1o0eA:
49.77
1stfI-1o0eA:
18.18
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.
2CL5_B_SAMB1217_1
(CATECHOL
O-METHYLTRANSFERASE)		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		4 / 6 TYR A  72
SER A  49
GLN A  84
ASP A  57
 None
 1.38A 2cl5B-1o0eA:
0.0		 2cl5B-1o0eA:
19.91
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		3 / 3 ASP A  82
THR A  14
PRO A  15
 None
 0.66A 2pynB-1o0eA:
undetectable		 2pynB-1o0eA:
20.30
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		3 / 3 ASP A  82
THR A  14
PRO A  15
 None
 0.69A 2qakB-1o0eA:
undetectable		 2qakB-1o0eA:
19.80
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.
2QBN_A_CAMA442_0
(CYTOCHROME P450-CAM)		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		4 / 7 TYR A  72
THR A  33
VAL A 130
VAL A 111
 None
 0.93A 2qbnA-1o0eA:
undetectable		 2qbnA-1o0eA:
18.33
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.
3AI8_A_HNQA255_1
(CATHEPSIN B)		 1o0e ERVATAMIN C
(Tabernaemontana
divaricata) 		4 / 7 GLN A  19
GLY A  23
HIS A 157
TRP A 175
 THJ  A 601 ( 3.8A)
THJ  A 601 (-2.9A)
THJ  A 601 (-3.8A)
None
 0.35A 3ai8A-1o0eA:
26.4		 3ai8A-1o0eA:
28.68