SIMILAR PATTERN OF AMINO ACIDS MAPPED TO '5gri'

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.
1I9J_H_TESH1010_1
(RECOMBINANT
MONOCLONAL
ANTI-TESTOSTERONE
FAB FRAGMENT HEAVY
CHAIN
RECOMBINANT
MONOCLONAL
ANTI-TESTOSTERONE
FAB FRAGMENT LIGHT
CHAIN)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 SER A 283
GLU A 260
GLY A  70
LEU A 280
VAL A   7
 None
 1.38A 1i9jH-5griA:
undetectable
1i9jL-5griA:
undetectable		 1i9jH-5griA:
21.74
1i9jL-5griA:
20.24
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.
2W8Y_A_486A1000_2
(PROGESTERONE
RECEPTOR)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 LEU A 227
ASN A 226
GLU A 123
LEU A 143
 None
 1.23A 2w8yA-5griA:
undetectable		 2w8yA-5griA:
20.73
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 7 LEU A 318
VAL A 245
GLY A 244
GLY A 241
 None
 0.76A 2wd9A-5griA:
3.0		 2wd9A-5griA:
20.90
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.
2WD9_B_IBPB1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		4 / 8 LEU A 318
VAL A 245
GLY A 244
GLY A 241
 None
 0.77A 2wd9B-5griA:
undetectable		 2wd9B-5griA:
20.90
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.
3BXO_A_SAMA238_0
(N,N-DIMETHYLTRANSFER
ASE)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ALA A 279
GLY A 244
LEU A 281
SER A 261
LEU A  68
 None
 1.31A 3bxoA-5griA:
undetectable		 3bxoA-5griA:
20.98
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.
3KO0_C_TFPC202_1
(PROTEIN S100-A4)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 SER A 233
SER A 248
PHE A 259
ILE A 258
GLU A 260
 MG  A 401 ( 4.2A)
None
None
None
None
 1.29A 3ko0A-5griA:
undetectable
3ko0B-5griA:
undetectable
3ko0C-5griA:
undetectable
3ko0D-5griA:
undetectable		 3ko0A-5griA:
13.99
3ko0B-5griA:
13.99
3ko0C-5griA:
13.99
3ko0D-5griA:
13.99
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.
3KO0_R_TFPR202_1
(PROTEIN S100-A4)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 GLU A 260
SER A 248
PHE A 259
ILE A 258
SER A 233
 None
None
None
None
MG  A 401 ( 4.2A)
 1.33A 3ko0Q-5griA:
undetectable
3ko0R-5griA:
undetectable
3ko0S-5griA:
undetectable
3ko0T-5griA:
undetectable		 3ko0Q-5griA:
13.99
3ko0R-5griA:
13.99
3ko0S-5griA:
13.99
3ko0T-5griA:
13.99
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.
3OZW_B_KKKB413_1
(FLAVOHEMOGLOBIN)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 ILE A  19
ALA A 279
LEU A 280
ILE A 240
GLY A 242
 None
 1.03A 3ozwB-5griA:
2.8		 3ozwB-5griA:
23.08
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.
3UT5_B_LOCB502_1
(TUBULIN BETA CHAIN)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 12 LEU A  93
LYS A  65
ASN A  64
ILE A  53
ILE A  10
 None
 1.17A 3ut5B-5griA:
undetectable		 3ut5B-5griA:
21.46
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		6 / 12 GLY A  16
GLY A  14
LEU A  72
LYS A  69
ALA A 275
GLU A 260
 None
 1.40A 4lg1B-5griA:
undetectable		 4lg1B-5griA:
17.06
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 PHE A 200
THR A 207
LEU A 185
 None
 0.77A 4qztA-5griA:
undetectable		 4qztA-5griA:
16.47
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.
5GWZ_D_010D6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
PEDV MAIN PROTEASE)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 MET A  66
HIS A 290
GLY A 252
 None
 0.80A 5gwzB-5griA:
undetectable		 5gwzB-5griA:
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.
5H2U_A_1N1A501_2
(PROTEIN-TYROSINE
KINASE 6)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		3 / 3 ILE A 176
MET A 224
ASP A 206
 None
 0.85A 5h2uA-5griA:
undetectable		 5h2uA-5griA:
22.54
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.
6HCO_A_FY5A1003_0
(ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
2)		 5gri ISOCITRATE
DEHYDROGENASE [NAD]
SUBUNIT ALPHA,
MITOCHONDRIAL
(Homo
sapiens) 		5 / 11 THR A   8
VAL A  41
THR A  90
ILE A 251
VAL A 256
 None
 1.39A 6hcoA-5griA:
1.9
6hcoB-5griA:
1.9		 6hcoA-5griA:
21.18
6hcoB-5griA:
21.18