Structure of PDB 3nnl Chain A Binding Site BS02

Receptor Information
>3nnl Chain A (length=306) Species: 158786 (Lyngbya majuscula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNREQVEQLKQEYEEKGYCQIKKIFDFSAIKTIQKTLDQAKQESQISDID
TNDHAYDLVKYDFVSSFIQEKLALLNYITGKNLMIMHNALFSVEPNHKGL
PWHVGVGSFSFTKTEDFGASIWIPLDKITKEHRGGMQYVSTKIFPGQFYY
SVFDLHLKNNIKWDESQGDLNEYVANANTIYNKITEDVIDYTIKDGYEED
EYNLGDAFFFNKYVLHQSVPLKPGLHKLRRAFVIRLVDYDTRVDEERLGL
FSKYSQLHSRYYKTLPRYNKDSVLVMVSRAVQKGLKSPYLRDIPHVQQTL
AARMAA
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain3nnl Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3nnl Conformational switch triggered by alpha-ketoglutarate in a halogenase of curacin A biosynthesis
Resolution2.883 Å
Binding residue
(original residue number in PDB)		F103 L112 H115 W134 M148 H228 S230 R241 V245 R247
Binding residue
(residue number reindexed from 1)		F91 L100 H103 W122 M136 H216 S218 R229 V233 R235
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links