SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '3jr2'

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.
1CMA_A_SAMA105_0
(PROTEIN (MET
REPRESSOR))		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 8 GLU A  78
ARG A  74
LEU A 105
GLU A 104
 None
 0.99A 1cmaA-3jr2A:
undetectable
1cmaB-3jr2A:
undetectable		 1cmaA-3jr2A:
18.10
1cmaB-3jr2A:
18.10
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.
2JFA_B_RALB600_2
(ESTROGEN RECEPTOR)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 4 LEU A  15
THR A  16
ILE A  32
HIS A  54
 None
 1.35A 2jfaB-3jr2A:
undetectable		 2jfaB-3jr2A:
22.43
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.
2OAX_F_SNLF6001_2
(MINERALOCORTICOID
RECEPTOR)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 5 LEU A 162
LEU A 159
LEU A 153
MET A 119
 None
 0.92A 2oaxF-3jr2A:
undetectable		 2oaxF-3jr2A:
23.37
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.
3RGF_A_BAXA465_2
(CYCLIN-DEPENDENT
KINASE 8)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 7 LEU A 128
LEU A 159
ASP A 121
MET A 119
 None
None
GOL  A1001 (-3.6A)
None
 0.94A 3rgfA-3jr2A:
undetectable		 3rgfA-3jr2A:
19.70
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_D_MXMD606_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		5 / 12 VAL A  86
VAL A 101
LEU A 105
ALA A  76
LEU A  72
 None
 1.11A 4m11D-3jr2A:
undetectable		 4m11D-3jr2A:
16.76
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.
4QGI_A_ROCA101_1
(PROTEASE)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		5 / 11 GLY A 147
ASP A 152
ILE A 168
THR A 169
GLY A 170
 None
None
None
None
SO4  A 502 (-3.5A)
 0.73A 4qgiA-3jr2A:
undetectable		 4qgiA-3jr2A:
21.90
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		5 / 12 ILE A 172
THR A 185
ILE A 183
ARG A 157
ILE A 168
 None
 1.03A 4x5jA-3jr2A:
undetectable		 4x5jA-3jr2A:
21.30
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.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		5 / 12 ILE A 172
THR A 185
ILE A 183
ARG A 157
ILE A 168
 None
 0.90A 5eajA-3jr2A:
undetectable		 5eajA-3jr2A:
21.60
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.
5K50_A_ACTA1403_0
(L-THREONINE
3-DEHYDROGENASE)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 5 SER A  48
VAL A  47
GLY A  80
ALA A  79
 None
 0.91A 5k50A-3jr2A:
undetectable		 5k50A-3jr2A:
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.
5MFX_A_ACTA701_0
(GENOME POLYPROTEIN)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		4 / 5 THR A  94
HIS A  91
ALA A  90
ASP A  67
 SO4  A 501 (-2.9A)
None
None
SO4  A 501 (-4.4A)
 1.42A 5mfxA-3jr2A:
undetectable		 5mfxA-3jr2A:
20.22
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		 3jr2 HEXULOSE-6-PHOSPHATE
SYNTHASE SGBH
(Vibrio
cholerae) 		5 / 12 ALA A  22
GLU A  33
LEU A  59
ILE A  58
VAL A  29
 None
MG  A3001 (-2.5A)
None
GOL  A1003 ( 4.8A)
None
 1.32A 5vlmB-3jr2A:
undetectable		 5vlmB-3jr2A:
21.27