SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '4rgb'

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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 9 GLY A  27
ASP A  51
ILE A  52
ALA A 117
ILE A 139
 NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 ( 3.9A)
 0.85A 1cetA-4rgbA:
8.8		 1cetA-4rgbA:
25.35
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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 10 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.00A 1d4sA-4rgbA:
undetectable		 1d4sA-4rgbA:
17.69
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.
1ONI_A_BEZA502_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 6 ASN A 212
ASN A 163
ARG A  21
GLY A 162
 None
 1.09A 1oniA-4rgbA:
undetectable
1oniB-4rgbA:
undetectable		 1oniA-4rgbA:
21.83
1oniB-4rgbA:
21.83
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.
1ONI_D_BEZD508_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 6 ASN A 212
ASN A 163
ARG A  21
GLY A 162
 None
 1.12A 1oniD-4rgbA:
undetectable
1oniF-4rgbA:
1.1		 1oniD-4rgbA:
21.83
1oniF-4rgbA:
21.83
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.
1UAY_A_ADNA1001_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		7 / 11 GLY A  27
ALA A  29
ASP A  51
ASP A  89
VAL A  90
ALA A 117
VAL A 119
 NAD  A 301 (-3.5A)
NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.5A)
NAD  A 301 (-4.8A)
 0.46A 1uayA-4rgbA:
28.0		 1uayA-4rgbA:
26.94
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.
1UAY_B_ADNB1002_1
(TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		7 / 10 GLY A  27
ALA A  29
ASP A  51
ASP A  89
VAL A  90
ALA A 117
VAL A 119
 NAD  A 301 (-3.5A)
NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.6A)
NAD  A 301 (-3.5A)
NAD  A 301 (-4.8A)
 0.46A 1uayB-4rgbA:
28.3		 1uayB-4rgbA:
26.94
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 GLY A  27
ASP A  51
ASP A  89
ASN A 116
ALA A 117
 NAD  A 301 (-3.5A)
NAD  A 301 (-2.7A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.5A)
 0.96A 2bm9E-4rgbA:
4.7		 2bm9E-4rgbA:
23.49
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 10 ASP A  51
ILE A  52
ALA A  29
ASP A  89
VAL A  90
 NAD  A 301 (-2.7A)
NAD  A 301 (-3.7A)
NAD  A 301 (-3.5A)
NAD  A 301 (-3.2A)
NAD  A 301 (-3.6A)
 0.98A 3ay0A-4rgbA:
6.1		 3ay0A-4rgbA:
21.10
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.
3EKP_C_478C200_1
(PROTEASE)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		6 / 10 LEU A 196
ALA A 166
GLY A 118
ILE A 139
ALA A 192
ILE A 193
 None
None
NAD  A 301 (-3.5A)
NAD  A 301 ( 3.9A)
None
None
 1.34A 3ekpC-4rgbA:
undetectable		 3ekpC-4rgbA:
18.03
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 0.98A 3oxxA-4rgbA:
undetectable		 3oxxA-4rgbA:
17.69
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)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.02A 3spkB-4rgbA:
undetectable		 3spkB-4rgbA:
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 7 PHE A  24
ALA A 115
THR A  26
LEU A  96
 None
 0.85A 3t3sC-4rgbA:
undetectable		 3t3sC-4rgbA:
22.63
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.
4HXY_B_ACAB502_1
(PLM1)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		4 / 7 VAL A 120
SER A 169
TYR A 186
MET A 223
 None
NAD  A 301 (-3.4A)
NAD  A 301 (-4.6A)
NAD  A 301 (-3.5A)
 0.71A 4hxyB-4rgbA:
18.3		 4hxyB-4rgbA:
24.09
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)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.02A 4njuA-4rgbA:
undetectable		 4njuA-4rgbA:
18.09
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)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.02A 4njuC-4rgbA:
undetectable		 4njuC-4rgbA:
18.09
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.
4R1Z_A_AERA601_1
(CYP17A1 PROTEIN)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 9 SER A 260
ILE A 263
GLY A  33
ALA A  28
VAL A  23
 None
 0.94A 4r1zA-4rgbA:
undetectable		 4r1zA-4rgbA:
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.
6DIL_B_TPVB201_0
(HIV-1 PROTEASE)		 4rgb CARVEOL
DEHYDROGENASE
(Mycobacterium
avium) 		5 / 12 ALA A 102
ASP A 101
VAL A  48
ILE A 110
GLY A 108
 None
 1.00A 6dilA-4rgbA:
undetectable		 6dilA-4rgbA:
16.55