SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3wdb'

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.
1HWI_C_115C4_2
(HMG-COA REDUCTASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
4 / 8 GLU A   3
LEU A  92
ALA A  95
LEU A  96
None
0.85A 1hwiD-3wdbA:
undetectable
1hwiD-3wdbA:
17.35
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 11 SER A  48
VAL A  12
LEU A  15
ALA A  16
LEU A  56
None
1.01A 1jinA-3wdbA:
undetectable
1jinA-3wdbA:
18.53
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.
2XAT_A_CLMA301_0
(XENOBIOTIC
ACETYLTRANSFERASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
3 / 3 GLY A 144
TYR A 145
SER A 143
None
0.75A 2xatA-3wdbA:
undetectable
2xatA-3wdbA:
19.52
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.
2XKW_A_P1BA1478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
4 / 7 ILE A  67
GLN A  62
ARG A  60
ILE A  38
None
0.69A 2xkwA-3wdbA:
undetectable
2xkwA-3wdbA:
19.71
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.
3CJT_O_SAMO302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 12 GLY A 116
GLY A 118
VAL A 123
LEU A 124
LEU A  90
None
FMT  A2000 (-3.4A)
None
None
None
0.89A 3cjtO-3wdbA:
undetectable
3cjtO-3wdbA:
22.69
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.
3N8X_A_NIMA701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 12 LEU A 110
ILE A 108
ALA A  45
SER A  48
LEU A  49
None
1.24A 3n8xA-3wdbA:
undetectable
3n8xA-3wdbA:
14.84
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.
4M11_B_MXMB606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 12 ILE A  54
LEU A  35
LEU A  49
ALA A 120
LEU A 127
None
0.88A 4m11B-3wdbA:
undetectable
4m11B-3wdbA:
14.34
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.
4ZN7_B_DESB600_1
(ESTROGEN RECEPTOR)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 11 LEU A 127
ALA A 129
LEU A  49
LEU A  52
LEU A  34
None
1.30A 4zn7B-3wdbA:
undetectable
4zn7B-3wdbA:
20.15
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.
5BPH_A_ACTA403_0
(D-ALANINE--D-ALANINE
LIGASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
4 / 6 ARG A  60
GLY A  58
SER A  55
LEU A  56
None
1.19A 5bphA-3wdbA:
undetectable
5bphA-3wdbA:
20.96
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.
5KIR_A_RCXA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
5 / 12 LEU A 110
ALA A  95
ALA A  45
SER A  48
LEU A  49
None
0.79A 5kirA-3wdbA:
0.8
5kirA-3wdbA:
14.13
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.
5U63_A_ACTA405_0
(THIOREDOXIN
REDUCTASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
3 / 3 GLY A  36
LEU A  15
HIS A  39
None
0.63A 5u63A-3wdbA:
undetectable
5u63A-3wdbA:
21.00
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.
5U63_B_ACTB405_0
(THIOREDOXIN
REDUCTASE)
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis)
3 / 3 GLY A  36
LEU A  15
HIS A  39
None
0.64A 5u63B-3wdbA:
undetectable
5u63B-3wdbA:
21.00