Structure of PDB 9cp8 Chain B Binding Site BS01

Receptor Information
>9cp8 Chain B (length=436) Species: 264198 (Cupriavidus pinatubonensis JMP134) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISYLKKAEKTPQTETATAQKVVTEMLAEIQARGKDAVRQYAKQLDGWSG
DIVLTPDQIREQTKDVPAGVRADIDFAIRQVTDFALAQRESLKEFSVELH
PGVTAGQRVLPVNVVGCYAPAGRYAHIASAYMGVATAKAAGVKTVVACSS
PFRGQGIHPHVLYAFQAAGADVIMALGGVQAIASMAYGLFTGKPADVVVG
PGNKFVAEAKRSLYGQVGIDVFAGPSEVAVIADETADPAIVASDLVGQAE
HGHESPAWLFTTSRDLADRVMALVPELIAKLPPTARDAATAAWRDYGEVI
LCGTREEVVEISDRYASEHLEVHTADLDWWLANLTCYGSLFLGEETTVAF
GDKTSGPNHVLPTKGAARYSGGLSVHKFMKTLTWQQMTREATRQIGQVTA
RISRLEGMEAHARTADDRMAKYFPNASFEMGTPVEV
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 chain9cp8 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB9cp8 Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Resolution1.57 Å
Binding residue
(original residue number in PDB)		Q248 H251 D352
Binding residue
(residue number reindexed from 1)		Q248 H251 D352
Annotation score1
External links
PDB RCSB:9cp8, PDBe:9cp8, PDBj:9cp8
PDBsum9cp8
PubMed39263660
UniProtQ46N53|HPSN_CUPPJ Sulfopropanediol 3-dehydrogenase (Gene Name=hpsN)

[Back to BioLiP]