Structure of PDB 6aon Chain A Binding Site BS02

Receptor Information
>6aon Chain A (length=473) Species: 257313 (Bordetella pertussis Tohama I) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQFDVVVIGAGPGGYIAAIRAAQLGMSVACIDAWQNGQGGPAPGGTCTNV
GCIPSKALLQSSEHYEQANHHFAEHGIEVKGVSLKLDTLIGRKNTVVKQN
NDGILYLFKKNKVTYFHGKGAFAGQVDGGWSIKVTGTTDADLVAKHVIVA
TGSSARELPGLPFDEKNILSNDGALNIGAVPKKLGVIGAGVIGLEMGSVW
RRLGAEVTILEAMPEFLAAADQQVAKEALKSFAKQGLDIQTGVKIGEIKA
AAKSITVPYVDAKGAEQKLVVDKLIVSIGRVPYTGGLNAEAVGLKLDERG
FVAVDEDCKTNLPNVWAVGDVVRGPMLAHKAEEEGVAVAERIAGQHGHVN
FATVPWVIYTSPEIAWVGKTEQQLKAEGREYKAGSFPFMANGRARALGDT
TGFAKVIADAKTDEVLGVHIIGPMASELISEAVTIMEFRGAAEDIARICH
AHPTLSEAVKEAALAVDKRTLNF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6aon Chain A Residue 502 [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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PDB6aon 1.72 Angstrom Resolution Crystal Structure of 2-Oxoglutarate Dehydrogenase Complex Subunit Dihydrolipoamide Dehydrogenase from Bordetella pertussis in Complex with FAD
Resolution1.72 Å
Binding residue
(original residue number in PDB)
A220 A222 Q224
Binding residue
(residue number reindexed from 1)
A218 A220 Q222
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) P45 C49 C54 S57 V193 E197 H452 H454 E459
Catalytic site (residue number reindexed from 1) P43 C47 C52 S55 V191 E195 H450 H452 E457
Enzyme Commision number 1.8.1.4: dihydrolipoyl dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004148 dihydrolipoyl dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding

View graph for
Molecular Function
External links
PDB RCSB:6aon, PDBe:6aon, PDBj:6aon
PDBsum6aon
PubMed
UniProtQ7VZ16

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