SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'MD0'


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.
1PJ7_A_FFOA2887_1
(N,N-DIMETHYLGLYCINE
OXIDASE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		3 / 3 ASP A 279
THR A 298
GLU A 205
 MD0  A 993 (-3.6A)
MD0  A 993 (-3.4A)
None
 0.71A 1pj7A-3t7vA:
undetectable		 1pj7A-3t7vA:
18.83
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 PHE A  64
SER A 305
TYR A  89
LEU A  91
LEU A 113
 MD0  A 993 (-3.7A)
None
None
None
None
 1.28A 1zgyA-3t7vA:
undetectable		 1zgyA-3t7vA:
21.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		6 / 12 THR A 114
GLY A 116
GLY A 148
TYR A 169
ARG A 190
MET A 237
 MD0  A 993 (-4.0A)
SF4  A 991 ( 3.7A)
SAM  A 992 ( 3.8A)
SAM  A 992 ( 4.6A)
SAM  A 992 (-3.3A)
MD0  A 993 (-3.9A)
 1.03A 3t7vA-3t7vA:
63.9		 3t7vA-3t7vA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3T7V_A_SAMA992_0
(METHYLORNITHINE
SYNTHASE PYLB)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		12 / 12 THR A 114
GLY A 116
GLY A 148
TYR A 169
GLU A 171
ARG A 182
ARG A 190
LEU A 209
MET A 237
GLN A 242
VAL A 310
ALA A 311
 MD0  A 993 (-4.0A)
SF4  A 991 ( 3.7A)
SAM  A 992 ( 3.8A)
SAM  A 992 ( 4.6A)
SAM  A 992 (-2.8A)
SAM  A 992 ( 2.7A)
SAM  A 992 (-3.3A)
SAM  A 992 (-4.8A)
MD0  A 993 (-3.9A)
SAM  A 992 (-4.2A)
SAM  A 992 (-3.7A)
SAM  A 992 ( 3.8A)
 0.03A 3t7vA-3t7vA:
63.9		 3t7vA-3t7vA:
100.00
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.
4DX5_B_MIYB1103_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 GLY A 285
ASP A 279
ALA A 276
VAL A 297
ARG A 322
 None
MD0  A 993 (-3.6A)
None
None
None
 0.89A 4dx5B-3t7vA:
undetectable		 4dx5B-3t7vA:
17.16
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.
4P6X_I_HCYI900_2
(GLUCOCORTICOID
RECEPTOR)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		3 / 3 MET A 150
MET A 144
TYR A 121
 None
MD0  A 993 ( 4.5A)
None
 1.25A 4p6xI-3t7vA:
undetectable		 4p6xI-3t7vA:
20.56
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.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 GLY A 285
ASP A 279
ALA A 276
VAL A 297
ARG A 322
 None
MD0  A 993 (-3.6A)
None
None
None
 0.92A 4u95B-3t7vA:
undetectable		 4u95B-3t7vA:
17.16
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.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		3 / 3 SER A 277
GLU A 171
GLU A 117
 MD0  A 993 (-2.6A)
SAM  A 992 (-2.8A)
None
 0.76A 4ymgB-3t7vA:
undetectable		 4ymgB-3t7vA:
19.42
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FEP_A_SAMA407_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
SER A 146
GLY A 148
LEU A 168
ARG A 190
 SF4  A 991 (-2.3A)
MD0  A 993 (-2.8A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
 0.51A 5fepA-3t7vA:
38.3		 5fepA-3t7vA:
30.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5FES_A_SAMA408_0
([FEFE] HYDROGENASE
MATURASE SUBUNIT
HYDE)		 3t7v METHYLORNITHINE
SYNTHASE PYLB
(Methanosarcina
barkeri) 		5 / 12 CYH A  78
SER A 146
GLY A 148
LEU A 168
ARG A 190
 SF4  A 991 (-2.3A)
MD0  A 993 (-2.8A)
SAM  A 992 ( 3.8A)
None
SAM  A 992 (-3.3A)
 0.51A 5fesA-3t7vA:
38.5		 5fesA-3t7vA:
30.49