Structure of PDB 7v3e Chain C Binding Site BS02
Receptor Information
>7v3e Chain C (length=280) Species:
249581
(Streptomyces ossamyceticus) [
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RTADLERARLGDDGLDFQDDAAQARAFAQGVFLLEIPEWLDLSAGDRFAR
QFFQGTGVEPYGKYRDLSSEHFGDELLGYHSRVDQLEQFLLERRFWGEVY
PSEIATLGEHLTLLSHRVLRSVLASAGIPEEDWHRASGGCSETNGSYHLT
FNHYRSAHQDIGLSSHKDDGFITVLRTTAQGLEVNRDDVWEKVPVDPACF
VVNFGLSMEILTSACVTPLSAIMHRVSHQNFDRSSFGHFSSSRCLPGADD
GIYRYLPSAGLERVCGSRELIEENDHEIYM
Ligand information
Ligand ID
AKG
InChI
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6
C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385
OC(=O)CCC(=O)C(O)=O
Formula
C5 H6 O5
Name
2-OXOGLUTARIC ACID
ChEMBL
CHEMBL1686
DrugBank
DB08845
ZINC
ZINC000001532519
PDB chain
7v3e Chain C Residue 404 [
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Receptor-Ligand Complex Structure
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PDB
7v3e
The crystal structure of SoBcmB and its side way intermediate product
Resolution
2.12 Å
Binding residue
(original residue number in PDB)
N184 Y186 L195 H198 V258 R265 S267
Binding residue
(residue number reindexed from 1)
N152 Y154 L163 H166 V226 R233 S235
Annotation score
4
External links
PDB
RCSB:7v3e
,
PDBe:7v3e
,
PDBj:7v3e
PDBsum
7v3e
PubMed
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