Structure of PDB 6kfd Chain A Binding Site BS01

Receptor Information
>6kfd Chain A (length=162) Species: 1551368 (Chamberlinius hualienensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTCDQLPKAAINPIQEFIDSNPLEFEYVLTETFECTTRIYVQPARWSTTK
APTALDIKGTQIMAYDFVGGPENSAHLNECHTGDKQVWYFQYTNLLTDNG
SSYCAYRCNGTEIIEYKCASNNNGTDPLQHQAMEVAKTVPNGDKIHYAKS
NCPETHGCFAFY
Ligand information
Ligand ID04E
InChIInChI=1S/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKeyJDNTWHVOXJZDSN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC(=O)CI
OpenEye OEToolkits 1.7.6C(C(=O)O)I
ACDLabs 12.01ICC(=O)O
FormulaC2 H3 I O2
Nameiodoacetic acid
ChEMBLCHEMBL376280
DrugBank
ZINCZINC000003860524
PDB chain6kfd Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6kfd R-hydroxynitrile lyase from the cyanogenic millipede, Chamberlinius hualienensis-A new entry to the carrier protein family Lipocalines.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		R38 L77 W88 K117
Binding residue
(residue number reindexed from 1)		R38 L77 W88 K117
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Molecular Function
External links
PDB RCSB:6kfd, PDBe:6kfd, PDBj:6kfd
PDBsum6kfd
PubMed32679618
UniProtA0A0H5BR52

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