Structure of PDB 2pk4 Chain A Binding Site BS01

Receptor Information
>2pk4 Chain A (length=80) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDCYHGDGQSYRGTSSTTTTGKKCQSWSSMTPHRHQKTPENYPNAGLTMN
YCRNPDADKGPWCFTTDPSVRWEYCNLKKC
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 chain2pk4 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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PDB2pk4 The refined structure of the epsilon-aminocaproic acid complex of human plasminogen kringle 4.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		K35 D55 D57 W62 F64 R71 W72
Binding residue
(residue number reindexed from 1)		K37 D56 D58 W62 F64 R71 W72
Annotation score1
Binding affinityBindingDB: Ki=53000000nM,Kd=9000nM,IC50=105000nM
Enzymatic activity
Enzyme Commision number 3.4.21.7: plasmin.
External links
PDB RCSB:2pk4, PDBe:2pk4, PDBj:2pk4
PDBsum2pk4
PubMed1657149
UniProtP00747|PLMN_HUMAN Plasminogen (Gene Name=PLG)

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