Structure of PDB 1pk2 Chain A Binding Site BS01

Receptor Information
>1pk2 Chain A (length=90) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SEGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQA
LGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCST
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 chain1pk2 Chain A Residue 91 [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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PDB1pk2 Solution structure of the tissue-type plasminogen activator kringle 2 domain complexed to 6-aminohexanoic acid an antifibrinolytic drug.
ResolutionN/A
Binding residue
(original residue number in PDB)		D63 W69 H71 L78 T79 W80
Binding residue
(residue number reindexed from 1)		D63 W69 H71 L78 T79 W80
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.68: t-plasminogen activator.
External links
PDB RCSB:1pk2, PDBe:1pk2, PDBj:1pk2
PDBsum1pk2
PubMed1762144
UniProtP00750|TPA_HUMAN Tissue-type plasminogen activator (Gene Name=PLAT)

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