Structure of PDB 6ok1 Chain D Binding Site BS01

Receptor Information
>6ok1 Chain D (length=127) Species: 471852 (Thermomonospora curvata DSM 43183) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPAINRDNAFWFEAAKQRRLVIQRCAACKTLRHPPGPCCPHCGSFDWDTV
EAAGTGQVYSYIVAHHPPHPAFEMPYVVALVELTEGTRLVTNLVGIAPDK
IEIGMPVVLDWLEADPELTLPVFRPAV
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 chain6ok1 Chain D 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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PDB6ok1 The steroid side-chain-cleaving aldolase Ltp2-ChsH2DUF35is a thiolase superfamily member with a radically repurposed active site.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		C212 C215 C226 C229
Binding residue
(residue number reindexed from 1)		C25 C28 C39 C42
Annotation score4
Enzymatic activity
Enzyme Commision number 4.2.1.-
External links
PDB RCSB:6ok1, PDBe:6ok1, PDBj:6ok1
PDBsum6ok1
PubMed31209106
UniProtD1AB77|CHSH2_THECD Probable enoyl-CoA hydratase alpha subunit (Gene Name=chsH2)

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