SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pnr'

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))		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		7 / 10 GLN A  36
GLY A  40
SER A  41
PHE A  45
SER A  46
ALA A 175
GLY A  82
 None
 1.29A 1stfE-3pnrA:
29.2
1stfI-3pnrA:
undetectable		 1stfE-3pnrA:
36.65
1stfI-3pnrA:
17.37
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))		 3pnr FALCIPAIN 2
PBICP-C
(Plasmodium
falciparum;
Plasmodium
berghei) 		9 / 10 GLN A  36
GLY A  40
SER A  41
TRP A  43
PHE A  45
SER A  46
HIS A 174
ALA A 175
GLY B 311
 None
 0.40A 1stfE-3pnrA:
29.2
1stfI-3pnrA:
undetectable		 1stfE-3pnrA:
36.65
1stfI-3pnrA:
17.37
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 8 ILE A 146
PHE A  17
GLY A 180
ILE A 202
 None
 0.90A 2qwxA-3pnrA:
undetectable
2qwxB-3pnrA:
undetectable		 2qwxA-3pnrA:
23.05
2qwxB-3pnrA:
23.05
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)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 7 GLN A  36
GLY A  40
HIS A 174
TRP A 206
 None
 0.43A 3ai8A-3pnrA:
26.2		 3ai8A-3pnrA:
27.97
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.
3CWK_A_REAA300_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		 3pnr PBICP-C
(Plasmodium
berghei) 		5 / 12 PHE B 253
LEU B 239
ALA B 344
THR B 207
GLU B 251
 None
 1.24A 3cwkA-3pnrB:
undetectable		 3cwkA-3pnrB:
20.94
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 7 ASN A  38
ASN A 204
HIS A 174
ALA A  42
 None
 1.44A 3frqB-3pnrA:
undetectable		 3frqB-3pnrA:
22.76
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.
3FRQ_B_ERYB195_1
(REPRESSOR PROTEIN
MPHR(A))		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 7 TYR A 106
ASN A 204
HIS A 174
ALA A  42
 None
 1.15A 3frqB-3pnrA:
undetectable		 3frqB-3pnrA:
22.76
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 8 LEU A 143
GLY A  29
ALA A  56
ILE A 240
 None
 0.79A 3jusA-3pnrA:
undetectable		 3jusA-3pnrA:
19.36
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		4 / 8 LEU A 143
GLY A  29
ALA A  56
ILE A 240
 None
 0.79A 3jusA-3pnrA:
undetectable		 3jusA-3pnrA:
19.36
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.
3TBG_A_RTZA2_1
(CYTOCHROME P450 2D6)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		5 / 11 LEU A  65
SER A  46
GLU A  67
VAL A  30
THR A  31
 None
 0.99A 3tbgA-3pnrA:
undetectable		 3tbgA-3pnrA:
20.63
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.
3ZOS_B_0LIB1000_2
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		5 / 9 LEU A  65
ILE A 202
LEU A 178
ILE A 146
TYR A  55
 None
 1.02A 3zosB-3pnrA:
undetectable		 3zosB-3pnrA:
20.19
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.
4EMA_A_BRLA601_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		3 / 3 PHE A  45
VAL A 179
ILE A 202
 None
 0.61A 4emaA-3pnrA:
undetectable		 4emaA-3pnrA:
20.56
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.
4POO_A_SAMA301_0
(PUTATIVE RNA
METHYLASE)		 3pnr PBICP-C
(Plasmodium
berghei) 		5 / 12 GLY B 201
ASN B 202
ILE B 224
SER B 318
ASN B 345
 None
 1.19A 4pooA-3pnrB:
undetectable		 4pooA-3pnrB:
19.72
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.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		 3pnr FALCIPAIN 2
(Plasmodium
falciparum) 		5 / 12 GLU A 241
LEU A 129
GLY A 144
ALA A 139
ILE A   8
 None
 1.18A 4xe5A-3pnrA:
undetectable		 4xe5A-3pnrA:
13.04
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.
5ND7_B_TA1B601_2
(TUBULIN BETA-2B
CHAIN)		 3pnr PBICP-C
(Plasmodium
berghei) 		3 / 3 THR B 258
PRO B 340
ARG B 336
 None
 0.86A 5nd7B-3pnrB:
undetectable		 5nd7B-3pnrB:
17.29
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.
6BRD_C_RFPC502_1
(RIFAMPIN
MONOOXYGENASE)		 3pnr FALCIPAIN 2
PBICP-C
(Plasmodium
berghei;
Plasmodium
falciparum) 		5 / 12 VAL A 150
VAL A 152
ARG B 336
GLY A 207
GLY A  40
 None
 1.08A 6brdC-3pnrA:
undetectable		 6brdC-3pnrA:
15.52