Structure of PDB 6c49 Chain A Binding Site BS01

Receptor Information
>6c49 Chain A (length=338) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNTIQAYAAMQAGEKLVPYKFDAGELQPHQVEVKVEYCGLCHSDISVLNN
EWHSTVYPVVAGHEIIGRIVALGSEAKGLQIGQRVGIGWTAESCQACDEC
IGGQQVLCTGENIATIVGHAGGFADKVRAGWQWAIPLPEDLDPESAGPLL
CGGITVFDPLLKHKIQATHHVGVIGIGGLGHIAIKLLKAWGCEITAFSSN
PDKTEELKAMGADHVVNSRDTEAVKAQKGKFDLLLSTVNVNWRAFISTLA
PNGSLHFLGLTLEPVPVSVGSLIDGAKSVTGSPTGSPAALRQLLKFAARK
KIAPQIELFPMSQLNEAIERLHSGQARYRIVLKADFAE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6c49 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6c49 Crystal Structure of Alcohol Dehydrogenase from Acinetobacter baumannii
Resolution1.85 Å
Binding residue
(original residue number in PDB)		C96 C99 C102 C110
Binding residue
(residue number reindexed from 1)		C94 C97 C100 C108
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.1: alcohol dehydrogenase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6c49, PDBe:6c49, PDBj:6c49
PDBsum6c49
PubMed
UniProtA0A1E3MC83

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