Structure of PDB 5dap Chain A Binding Site BS01

Receptor Information
>5dap Chain A (length=288) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSQIPRLSAINDLHKIWPTVEEHGAAIIESFLSLDIVRRLNEEVDPFVKI
EPIPAAKTKDHPNHVLSTTTRLVNVLAPISKAYREDVLNSKVLHRICSDA
FHVYGDYWVLMGAVMELAPSNPAQPLHRDMRFSHPIVEYLKPDAPATSIN
FLVALSPFTAENGATHVILGSHKWQNLSNVSMDATVRALMNPGDALLITD
STIHCGGAETTGTETRRLLTITMGISQLTPLESNLAVPRPVIESLTPLAQ
RLLGWASQRSAAPRDIGLLTIRGNSIEKTMNLKAEQPL
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 chain5dap Chain A Residue 402 [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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PDB5dap Structure of the Dioxygenase AsqJ: Mechanistic Insights into a One-Pot Multistep Quinolone Antibiotic Biosynthesis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M122 Q131 H134 T172 H211 G213 R223 L225
Binding residue
(residue number reindexed from 1)		M115 Q124 H127 T165 H204 G206 R216 L218
Annotation score5
Enzymatic activity
Enzyme Commision number 1.14.11.81: (-)-cyclopenine synthase.
External links
PDB RCSB:5dap, PDBe:5dap, PDBj:5dap
PDBsum5dap
PubMed26553478
UniProtQ5AR53|ASQJ_EMENI Iron/alpha-ketoglutarate-dependent dioxygenase asqJ (Gene Name=asqJ)

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