SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2pns'

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))		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(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 (-2.1A)
THJ  A 601 (-2.5A)
None
THJ  A 601 (-4.8A)
None
None
THJ  A 601 ( 4.7A)
 0.49A 1stfE-2pnsA:
24.5
1stfI-2pnsA:
undetectable		 1stfE-2pnsA:
49.31
1stfI-2pnsA:
17.54
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)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		3 / 3 ASP A  82
THR A  14
PRO A  15
 None
 0.65A 2pynB-2pnsA:
undetectable		 2pynB-2pnsA:
22.96
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		3 / 3 ASP A  82
THR A  14
PRO A  15
 None
 0.68A 2qakB-2pnsA:
undetectable		 2qakB-2pnsA:
21.50
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)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		4 / 7 TYR A  72
THR A  33
VAL A 130
VAL A 111
 None
 0.93A 2qbnA-2pnsA:
undetectable		 2qbnA-2pnsA:
17.83
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)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		4 / 7 GLN A  19
GLY A  23
HIS A 157
TRP A 175
 THJ  A 601 (-2.1A)
THJ  A 601 (-2.5A)
THJ  A 601 ( 4.7A)
None
 0.47A 3ai8A-2pnsA:
26.4		 3ai8A-2pnsA:
28.57
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.
3CCF_A_BEZA261_0
(CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		4 / 8 HIS A  61
GLY A  66
ASN A  60
TYR A  70
 None
THJ  A 601 (-4.5A)
None
None
 1.25A 3ccfA-2pnsA:
undetectable		 3ccfA-2pnsA:
20.14
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.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		 2pns ERVATAMIN-C, A
PAPAIN-LIKE PLANT
CYSTEINE PROTEASE
(Tabernaemontana
divaricata) 		4 / 6 GLU A  35
ARG A 172
GLU A  50
GLU A  84
 None
 1.29A 4kr3A-2pnsA:
undetectable		 4kr3A-2pnsA:
15.06