SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3w2i'

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.
1HXW_B_RITB301_1
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 9 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.91A 1hxwA-3w2iA:
undetectable		 1hxwA-3w2iA:
17.41
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.
1K6C_B_MK1B902_2
(POL POLYPROTEIN)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 1k6cB-3w2iA:
undetectable		 1k6cB-3w2iA:
16.67
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.
1OS6_A_DXCA75_0
(PPCA)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 8 ILE A 162
LEU A 193
PHE A 179
GLY A 152
 None
None
None
NAD  A 302 (-3.3A)
 0.90A 1os6A-3w2iA:
undetectable		 1os6A-3w2iA:
14.23
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.
1QVT_A_PRLA311_0
(TRANSCRIPTIONAL
REGULATOR QACR)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 8 LEU A 102
GLU A 103
ILE A  81
TYR A  65
 None
None
FAD  A 301 (-3.7A)
FAD  A 301 (-4.2A)
 1.11A 1qvtA-3w2iA:
undetectable		 1qvtA-3w2iA:
20.00
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.
1SGU_B_MK1B2632_2
(POL POLYPROTEIN)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 1sguB-3w2iA:
undetectable		 1sguB-3w2iA:
17.41
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.
2B7Z_B_MK1B200_2
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.99A 2b7zB-3w2iA:
undetectable		 2b7zB-3w2iA:
17.41
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.
2FXD_A_DR7A102_2
(POL PROTEIN)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 7 ASP A  72
GLY A  43
ILE A   5
PRO A  36
 None
 0.83A 2fxdB-3w2iA:
undetectable		 2fxdB-3w2iA:
16.48
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.
2O4P_A_TPVA300_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 11 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 2o4pA-3w2iA:
undetectable		 2o4pA-3w2iA:
17.41
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.
3D1Z_B_017B201_2
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.92A 3d1zB-3w2iA:
undetectable		 3d1zB-3w2iA:
15.50
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.
3EL9_A_DR7A100_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 8 ASP A  72
GLY A  43
ILE A   5
PRO A  36
 None
 0.86A 3el9A-3w2iA:
undetectable		 3el9A-3w2iA:
16.48
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.
3S56_A_ROCA201_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 1.01A 3s56A-3w2iA:
undetectable		 3s56A-3w2iA:
15.93
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 6 ILE A 162
LEU A 193
PHE A 179
GLY A 152
 None
None
None
NAD  A 302 (-3.3A)
 0.83A 3sj1X-3w2iA:
undetectable		 3sj1X-3w2iA:
14.23
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 11 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 1.10A 3spkA-3w2iA:
undetectable		 3spkA-3w2iA:
17.22
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.91A 3spkB-3w2iA:
undetectable		 3spkB-3w2iA:
17.22
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.
3TKG_B_ROCB801_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.93A 3tkgA-3w2iA:
undetectable		 3tkgA-3w2iA:
15.27
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.
3TKG_C_ROCC901_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.91A 3tkgC-3w2iA:
undetectable		 3tkgC-3w2iA:
15.27
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.
4HBF_A_DXCA75_0
(PPCA)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 7 ILE A 162
LEU A 193
PHE A 179
GLY A 152
 None
None
None
NAD  A 302 (-3.3A)
 0.85A 4hbfA-3w2iA:
undetectable		 4hbfA-3w2iA:
14.23
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.
4HC3_A_DXCA75_0
(PPCA)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 7 ILE A 162
LEU A 193
PHE A 179
GLY A 152
 None
None
None
NAD  A 302 (-3.3A)
 0.85A 4hc3A-3w2iA:
undetectable		 4hc3A-3w2iA:
14.23
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.
4NJU_A_TPVA500_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 1.00A 4njuA-3w2iA:
undetectable		 4njuA-3w2iA:
18.32
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.
4NJU_C_TPVC500_1
(PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.99A 4njuC-3w2iA:
undetectable		 4njuC-3w2iA:
18.32
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.
5VW5_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 8 THR A 153
GLY A 154
CYH A 245
GLY A 246
 FAD  A 301 ( 3.5A)
NAD  A 302 (-3.9A)
NAD  A 302 (-3.4A)
NAD  A 302 (-3.8A)
 0.55A 5vw5A-3w2iA:
20.6		 5vw5A-3w2iA:
22.67
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.
5YF0_A_ACTA504_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 4 VAL A  61
ASN A  59
LYS A  97
TYR A 101
 None
None
FAD  A 301 (-4.6A)
None
 1.46A 5yf0A-3w2iA:
3.2		 5yf0A-3w2iA:
22.57
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.
5YF0_B_ACTB502_0
(CARNOSINE
N-METHYLTRANSFERASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		4 / 4 VAL A  61
ASN A  59
LYS A  97
TYR A 101
 None
None
FAD  A 301 (-4.6A)
None
 1.45A 5yf0B-3w2iA:
3.2		 5yf0B-3w2iA:
22.57
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.
6DIF_B_TPVB201_0
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.98A 6difA-3w2iA:
undetectable		 6difA-3w2iA:
14.63
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 3w2i NADH-CYTOCHROME B5
REDUCTASE 3
(Sus
scrofa) 		5 / 12 ASP A  72
ASP A  73
GLY A  43
ILE A   5
PRO A  36
 None
 0.96A 6dilA-3w2iA:
undetectable		 6dilA-3w2iA:
13.64