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BioLiP

Structure of PDB 1cea Chain B Binding Site BS01

Receptor Information
>1cea Chain B (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 B 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)		R34 F35 D54 D56 W61 Y63 R70 Y71
Binding residue
(residue number reindexed from 1)		R35 F36 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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