SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3pyg'

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.
1BX4_A_ADNA350_2
(PROTEIN (ADENOSINE
KINASE))		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		3 / 3 LEU A  52
SER A  90
ASN A  48
 None
 0.83A 1bx4A-3pygA:
undetectable		 1bx4A-3pygA:
22.05
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.
2C49_B_ADNB1301_1
(SUGAR KINASE MJ0406)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		4 / 7 ALA A 108
ASP A 109
GLY A 106
GLY A 105
 None
None
ADP  A 307 (-3.2A)
ADP  A 307 (-3.3A)
 0.70A 2c49B-3pygA:
undetectable		 2c49B-3pygA:
22.12
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 218
ALA A 262
ALA A 271
THR A 149
VAL A  34
 None
 1.03A 3c6gA-3pygA:
undetectable		 3c6gA-3pygA:
21.41
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.
3C6G_B_VD3B700_1
(CYTOCHROME P450 2R1)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 218
ALA A 262
ALA A 271
THR A 149
VAL A  34
 None
 1.02A 3c6gB-3pygA:
undetectable		 3c6gB-3pygA:
21.41
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.
3CZH_B_D2VB602_1
(CYTOCHROME P450 2R1)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 218
ALA A 262
ALA A 271
THR A 149
VAL A  34
 None
 1.06A 3czhB-3pygA:
undetectable		 3czhB-3pygA:
21.41
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.
3DH0_B_SAMB300_0
(SAM DEPENDENT
METHYLTRANSFERASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 106
VAL A  99
MET A 103
ALA A 110
LEU A  56
 ADP  A 307 (-3.2A)
ADP  A 307 (-3.9A)
None
None
None
 0.96A 3dh0B-3pygA:
undetectable		 3dh0B-3pygA:
22.22
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.
4L3G_F_ACTF401_0
(METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		3 / 3 ARG A 155
LEU A  31
GLU A  30
 None
 0.71A 4l3gF-3pygA:
undetectable		 4l3gF-3pygA:
20.82
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 101
THR A 260
HIS A  36
PHE A 143
THR A 291
 ADP  A 307 (-4.3A)
None
None
None
None
 1.17A 4zdyA-3pygA:
undetectable		 4zdyA-3pygA:
21.05
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.
5ESL_A_1YNA701_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 101
THR A 260
HIS A  36
PHE A 143
THR A 291
 ADP  A 307 (-4.3A)
None
None
None
None
 1.17A 5eslA-3pygA:
undetectable		 5eslA-3pygA:
21.05
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 VAL A  38
ALA A 262
VAL A  14
LEU A 210
SER A 164
 None
 1.01A 5hv1A-3pygA:
undetectable		 5hv1A-3pygA:
16.92
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.
5TOA_B_ESTB601_1
(ESTROGEN RECEPTOR
BETA)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 LEU A 179
LEU A 237
ILE A 253
LEU A 241
LEU A  18
 None
 1.11A 5toaB-3pygA:
undetectable		 5toaB-3pygA:
24.62
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 6 GLY A  12
ASP A 140
GLY A 296
PRO A 295
GLY A 147
 None
 1.36A 6ag0C-3pygA:
undetectable		 6ag0C-3pygA:
15.61
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.
6E8Q_A_X2NA602_0
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 12 GLY A 101
THR A 260
HIS A  36
PHE A 143
THR A 291
 ADP  A 307 (-4.3A)
None
None
None
None
 1.16A 6e8qA-3pygA:
undetectable		 6e8qA-3pygA:
15.21
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.
6H1L_A_FJQA501_0
(BIFUNCTIONAL
CYTOCHROME
P450/NADPH--P450
REDUCTASE)		 3pyg 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE
(Mycobacterium
tuberculosis) 		5 / 10 ALA A 144
VAL A 141
ALA A  76
ALA A 116
LEU A 114
 None
 1.20A 6h1lA-3pygA:
undetectable		 6h1lA-3pygA:
21.15