Structure of PDB 6jko Chain B Binding Site BS01

Receptor Information
>6jko Chain B (length=376) Species: 1447716 (Bifidobacterium catenulatum PV20-2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMLWDYAQPVTIRFGKGRAMEIKDIAEAMGLHDGIMVTPKFFVDSGEAQR
LIDASDGAVSTVFTDFSPNPDVTEVDACAEIIRKNHCEFVVAMGGGSAMD
VSKAAASICLTDDSIADYHGTGKAMPQKHLPIIALPTTAGTGSEVTCVSV
LTNRKLGKKAPIVSDGFFPSVAIVDPELTYSVPPKITASTGMDVLSQAIE
GFWSKGHQPICDSCAAHAAKLVFKYLPIAVAEPHNEEAREKMCEASVIAG
LAFTLPKTTSSHACSFPLTNIHGIPHGEACGLTLDYFARINKDAQHGRVQ
EFARGIGFKDVDAMADAIHDLKVRIGMRTGLKDLNLTEEQIADLVRISRH
PNLYNNPVEITDDMLDTMYHYLASTD
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 chain6jko Chain B Residue 401 [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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PDB6jko Identification and characterization of a new sulfoacetaldehyde reductase from the human gut bacteriumBifidobacterium kashiwanohense.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D192 H261 H275
Binding residue
(residue number reindexed from 1)		D193 H262 H276
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004022 alcohol dehydrogenase (NAD+) activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:6jko, PDBe:6jko, PDBj:6jko
PDBsum6jko
PubMed31123167
UniProtA0A0A7I0A5

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