Structure of PDB 1cea Chain A Binding Site BS01

Receptor Information
>1cea 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]
ECKTGNGKNYRGTMSKTKNGITCQKWSSTSPHRPRFSPATHPSEGLEENY
CRNPDNDPQGPWCYTTDPEKRYDYCDILEC
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 chain1cea Chain A Residue 90 [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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PDB1cea Crystal structures of the recombinant kringle 1 domain of human plasminogen in complexes with the ligands epsilon-aminocaproic acid and trans-4-(aminomethyl)cyclohexane-1-carboxylic Acid.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		D54 D56 W61 Y63 R70 Y71
Binding residue
(residue number reindexed from 1)		D55 D57 W62 Y64 R71 Y72
Annotation score1
Binding affinityMOAD: Kd~11uM
PDBbind-CN: -logKd/Ki=4.96,Kd=11uM
BindingDB: Ki=53000000nM,Kd=9000nM,IC50=105000nM
Enzymatic activity
Enzyme Commision number 3.4.21.7: plasmin.
External links
PDB RCSB:1cea, PDBe:1cea, PDBj:1cea
PDBsum1cea
PubMed8611560
UniProtP00747|PLMN_HUMAN Plasminogen (Gene Name=PLG)

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