SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5nue'

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.
1EKJ_C_ACTC3004_0
(BETA-CARBONIC
ANHYDRASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		4 / 6 GLN A 113
TYR A 110
VAL A 129
GLY A  89
 NAD  A 401 (-3.8A)
None
None
NAD  A 401 (-3.3A)
 1.27A 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
undetectable		 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
undetectable
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.
1EKJ_C_ACTC3007_0
(BETA-CARBONIC
ANHYDRASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		4 / 6 VAL A 129
GLY A  89
GLN A 113
TYR A 110
 None
NAD  A 401 (-3.3A)
NAD  A 401 (-3.8A)
None
 1.26A 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
undetectable		 1ekjC-5nueA:
undetectable
1ekjD-5nueA:
undetectable
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 11 GLY A  18
GLY A  15
SER A 242
ALA A 247
ARG A 239
 None
NAD  A 401 (-3.3A)
NAD  A 401 ( 4.0A)
NAD  A 401 ( 3.7A)
None
 0.85A 1x7pA-5nueA:
undetectable
1x7pB-5nueA:
undetectable		 1x7pA-5nueA:
undetectable
1x7pB-5nueA:
undetectable
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.
2KCE_B_D16B568_1
(THYMIDYLATE SYNTHASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 LEU A 220
LEU A 165
GLY A 166
VAL A 182
ALA A 199
 None
None
PEO  A 406 (-3.5A)
None
None
 1.09A 2kceB-5nueA:
undetectable		 2kceB-5nueA:
15.42
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_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 ILE A 285
ALA A 122
LEU A 117
ILE A 153
MET A  87
 None
 1.31A 2xkwB-5nueA:
undetectable		 2xkwB-5nueA:
15.62
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.
3O7W_A_SAMA801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 1)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 GLY A  32
GLY A  28
ILE A  29
ASP A 257
LEU A 260
 None
 0.88A 3o7wA-5nueA:
4.3		 3o7wA-5nueA:
undetectable
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.
3OXW_B_017B200_1
(HIV-1 PROTEASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 10 LEU A  39
GLY A  18
ALA A  13
ASP A  43
VAL A  69
 None
None
None
NAD  A 401 (-2.8A)
None
 1.02A 3oxwA-5nueA:
undetectable		 3oxwA-5nueA:
24.27
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 10 LEU A  39
GLY A  18
ALA A  13
ASP A  43
VAL A  69
 None
None
None
NAD  A 401 (-2.8A)
None
 1.01A 3oxwC-5nueA:
undetectable		 3oxwC-5nueA:
24.27
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.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 11 CYH A 292
SER A 154
LEU A 128
ILE A 255
LEU A 260
 None
 1.20A 4k37A-5nueA:
undetectable		 4k37A-5nueA:
undetectable
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.
4L1X_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		4 / 8 LEU A  21
VAL A  10
LEU A 159
LEU A 156
 None
None
NAD  A 401 ( 4.2A)
NAD  A 401 (-4.2A)
 0.88A 4l1xA-5nueA:
undetectable		 4l1xA-5nueA:
12.62
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.
4YOA_A_017A100_1
(HIV-1 PROTEASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		4 / 6 THR A 262
PRO A 263
THR A 266
VAL A 268
 None
 1.07A 4yoaA-5nueA:
undetectable		 4yoaA-5nueA:
23.30
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.
5IGI_A_ZITA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 ILE A  59
VAL A  54
ALA A  13
VAL A  22
GLY A  78
 None
 1.21A 5igiA-5nueA:
undetectable		 5igiA-5nueA:
14.29
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.
5XXI_A_LSNA501_1
(CYTOCHROME P450 2C9)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 ALA A 247
VAL A  22
VAL A 130
GLY A  12
ALA A  13
 NAD  A 401 ( 3.7A)
None
NAD  A 401 (-4.3A)
NAD  A 401 (-3.3A)
None
 0.98A 5xxiA-5nueA:
undetectable		 5xxiA-5nueA:
12.71
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.
6BXL_B_SAMB401_0
(2-(3-AMINO-3-CARBOXY
PROPYL)HISTIDINE
SYNTHASE)		 5nue MALATE DEHYDROGENASE
1, CYTOPLASMIC
(Arabidopsis
thaliana) 		5 / 12 LEU A 260
GLY A 261
SER A 154
VAL A 272
VAL A 290
 None
 1.41A 6bxlB-5nueA:
3.0		 6bxlB-5nueA:
undetectable