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Structure of PDB 9cp7 Chain B Binding Site BS01

Receptor Information
>9cp7 Chain B (length=435) Species: 264198 (Cupriavidus pinatubonensis JMP134) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ISYLKKAEKTPQTETATAQKVVTEMLAEIQARGKDAVRQYAKQLDGWSGD
IVLTPDQIREQTKDVPAGVRADIDFAIRQVTDFALAQRESLKEFSVELHP
GVTAGQRVLPVNVVGCYAPAGRYAHIASAYMGVATAKAAGVKTVVACSSP
FRGQGIHPHVLYAFQAAGADVIMALGGVQAIASMAYGLFTGKPADVVVGP
GNKFVAEAKRSLYGQVGIDVFAGPSEVAVIADETADPAIVASDLVGQAEH
GHESPAWLFTTSRDLADRVMALVPELIAKLPPTARDAATAAWRDYGEVIL
CGTREEVVEISDRYASEHLEVHTADLDWWLANLTCYGSLFLGEETTVAFG
DKTSGPNHVLPTKGAARYSGGLSVHKFMKTLTWQQMTREATRQIGQVTAR
ISRLEGMEAHARTADDRMAKYFPNASFEMGTPVEV
Ligand information
Ligand IDOCS
InChIInChI=1S/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKeyXVOYSCVBGLVSOL-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C([C@@H](C(=O)O)N)S(=O)(=O)O
CACTVS 3.385N[CH](C[S](O)(=O)=O)C(O)=O
ACDLabs 12.01O=S(=O)(O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](C[S](O)(=O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)S(=O)(=O)O
FormulaC3 H7 N O5 S
NameCYSTEINESULFONIC ACID
ChEMBL
DrugBankDB03661
ZINCZINC000004228276
PDB chain9cp7 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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PDB9cp7 Structural and kinetic insights into the stereospecific oxidation of R -2,3-dihydroxypropanesulfonate by DHPS-3-dehydrogenase from Cupriavidus pinatubonensis.
Resolution1.751 Å
Binding residue
(original residue number in PDB)		M408 H411
Binding residue
(residue number reindexed from 1)		M407 H410
Annotation score2
External links
PDB RCSB:9cp7, PDBe:9cp7, PDBj:9cp7
PDBsum9cp7
PubMed39263660
UniProtQ46N53|HPSN_CUPPJ Sulfopropanediol 3-dehydrogenase (Gene Name=hpsN)

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