SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '2grj'

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.
1RL8_A_RITA9001_2
(PROTEASE RETROPEPSIN)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		6 / 12 LEU A 132
ALA A 126
GLY A   7
ILE A 148
ALA A 138
ILE A 131
 None
 1.44A 1rl8B-2grjA:
undetectable		 1rl8B-2grjA:
21.43
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.
2XFH_A_CL6A1413_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		4 / 6 HIS A  84
GLN A 145
ALA A 106
THR A   6
 COD  A 201 (-3.7A)
COD  A 201 (-3.5A)
COD  A 201 ( 3.8A)
None
 1.04A 2xfhA-2grjA:
undetectable		 2xfhA-2grjA:
19.40
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.
3ARU_A_PNXA607_1
(CHITINASE A)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		4 / 8 VAL A 121
GLY A   7
THR A   6
GLY A  12
 None
None
None
ADP  A 200 (-3.1A)
 0.72A 3aruA-2grjA:
undetectable		 3aruA-2grjA:
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.
3EKP_B_478B200_2
(PROTEASE)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		6 / 10 LEU A 132
ALA A 126
GLY A   7
ILE A 148
ALA A 138
ILE A 131
 None
 1.49A 3ekpB-2grjA:
undetectable		 3ekpB-2grjA:
22.40
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)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		6 / 10 LEU A 132
ALA A 126
GLY A   7
ILE A 148
ALA A 138
ILE A 131
 None
 1.41A 3ekpC-2grjA:
undetectable		 3ekpC-2grjA:
22.40
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.
3EKT_B_017B200_2
(PROTEASE)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		5 / 9 ALA A 126
GLY A   7
ILE A 148
ALA A 138
ILE A 131
 None
 1.05A 3ektB-2grjA:
undetectable		 3ektB-2grjA:
22.40
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.
3GWX_A_EPAA1_1
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		5 / 10 VAL A   5
ILE A 131
LEU A 164
VAL A 155
VAL A 168
 None
 1.06A 3gwxA-2grjA:
undetectable		 3gwxA-2grjA:
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.
4EAT_A_BEZA1000_0
(BENZOATE-COENZYME A
LIGASE)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		4 / 7 GLY A   7
ILE A   9
GLY A  10
ILE A 131
 None
COD  A 201 (-3.8A)
ADP  A 200 (-3.5A)
None
 0.67A 4eatA-2grjA:
undetectable		 4eatA-2grjA:
15.55
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.
5AXD_C_RBVC502_2
(ADENOSYLHOMOCYSTEINA
SE)		 2grj DEPHOSPHO-COA KINASE
(Thermotoga
maritima) 		3 / 3 THR A  98
HIS A  84
LEU A 114
 None
COD  A 201 (-3.7A)
None
 0.88A 5axdC-2grjA:
undetectable		 5axdC-2grjA:
19.68