Structure of PDB 2h6e Chain A Binding Site BS01

Receptor Information
>2h6e Chain A (length=323) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVKSKAALLKKFSEDVNIPEPQGEEVLIRIGGAGVCRTDLRVWKGVEAKQ
GFRLPIILGHENAGTIVEVGELAKVKKGDNVVVYATWGDLTCRYCREGKF
NICKNQIIPGQTTNGGFSEYMLVKSSRWLVKLNSLSPVEAAPLADAGTTS
MGAIRQALPFISKFAEPVVIVNGIGGLAVYTIQILKALMKNITIVGISRS
KKHRDFALELGADYVSEMKDAESLINKLTDGLGASIAIDLVGTEETTYNL
GKLLAQEGAIILVGMEGKRVSLEAFDTAVWNKKLLGSNYGSLNDLEDVVR
LSESGKIKPYIIKVPLGRQVITP
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 chain2h6e Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2h6e Crystal Structure and Biochemical Properties of the d-Arabinose Dehydrogenase from Sulfolobus solfataricus
Resolution1.8 Å
Binding residue
(original residue number in PDB)		C41 H65 D150
Binding residue
(residue number reindexed from 1)		C36 H60 D145
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C41 R42 T43 R46 H65 E66 D94 C97 C100 C108 I112 D150 T154 R339
Catalytic site (residue number reindexed from 1) C36 R37 T38 R41 H60 E61 D89 C92 C95 C103 I107 D145 T149 R318
Enzyme Commision number 1.1.1.427: D-arabinose 1-dehydrogenase (NADP(+)).
Gene Ontology
Molecular Function
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0030554 adenyl nucleotide binding
GO:0043168 anion binding
GO:0046872 metal ion binding
GO:0106271 D-arabinose 1-dehydrogenase (NADP+) activity
Biological Process
GO:0019568 arabinose catabolic process
GO:0051262 protein tetramerization

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Molecular Function
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Biological Process
External links
PDB RCSB:2h6e, PDBe:2h6e, PDBj:2h6e
PDBsum2h6e
PubMed17610898
UniProtQ97YM2|ARADH_SACS2 D-arabinose 1-dehydrogenase (NADP(+)) (Gene Name=araDH)

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