Structure of PDB 3kiv Chain A Binding Site BS01

Receptor Information
>3kiv Chain A (length=79) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCYHGNGQSYRGTFSTTVTGRTCQSWSSMTPHRHQRTPENYPNDGLTMNY
CRNPDADTGPWCFTTDPSIRWEYCNLTRC
Ligand information
Ligand IDACA
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCN
OpenEye OEToolkits 1.5.0C(CCC(=O)O)CCN
CACTVS 3.341NCCCCCC(O)=O
FormulaC6 H13 N O2
Name6-AMINOHEXANOIC ACID;
AMINOCAPROIC ACID
ChEMBLCHEMBL1046
DrugBankDB00513
ZINCZINC000001529425
PDB chain3kiv Chain A Residue 100 [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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PDB3kiv Recombinant kringle IV-10 modules of human apolipoprotein(a): structure, ligand binding modes, and biological relevance.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R35 D55 W62 F64 R71 W72
Binding residue
(residue number reindexed from 1)		R36 D55 W61 F63 R70 W71
Annotation score1
Binding affinityMOAD: Kd=20uM
PDBbind-CN: -logKd/Ki=4.70,Kd=20uM
Enzymatic activity
Enzyme Commision number 3.4.21.-
External links
PDB RCSB:3kiv, PDBe:3kiv, PDBj:3kiv
PDBsum3kiv
PubMed10026282
UniProtP08519|APOA_HUMAN Apolipoprotein(a) (Gene Name=LPA)

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