Structure of PDB 8v36 Chain A Binding Site BS01

Receptor Information
>8v36 Chain A (length=428) Species: 264198 (Cupriavidus pinatubonensis JMP134) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISYLKKAEKTPETATAQKVVTEMLAEIQARGKDAVRQYAKQLDGWSGDI
VLTPDQIREQTKDVPAGVRADIDFAIRQVTDFALAQRESLKEFSVELHPG
VTAGQRVLPVNVVGCYAPAGRYAHIASAYMGVATAKAAGVKTVVACSSPF
RGQGIHPHVLYAFQAAGADVIMALGGVQAIASMAYGLFTGKPADVVVGPG
NKFVAEAKRSLYGQVGIDVFAGPSEVAVIADETADPAIVASDLVGQAEHG
HESPAWLFTTSRDLADRVMALVPELIAKLPPTARDAATAAWRDYGEVILC
GTREEVVEISDRYASEHLEVHTADLDWWLANLTCYGSLFLGEETTVAFGD
KTSGPNHVLRYSGGLSVHKFMKTLTWQQMTREATRQIGQVTARISRLEGM
EAHARTADDRMAKYFPNASFEMGTPVEV
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 chain8v36 Chain A Residue 501 [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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PDB8v36 Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Resolution2.235 Å
Binding residue
(original residue number in PDB)		H126 Q248 H251
Binding residue
(residue number reindexed from 1)		H124 Q246 H249
Annotation score1
External links
PDB RCSB:8v36, PDBe:8v36, PDBj:8v36
PDBsum8v36
PubMed39263660
UniProtQ46N53|HPSN_CUPPJ Sulfopropanediol 3-dehydrogenase (Gene Name=hpsN)

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