Structure of PDB 1ceb Chain A Binding Site BS01

Receptor Information
>1ceb 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 IDAMH
InChIInChI=1S/C8H15NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h6-7H,1-5,9H2,(H,10,11)/t6-,7-
InChIKeyGYDJEQRTZSCIOI-LJGSYFOKSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C1CCC(CN)CC1
CACTVS 3.341NC[C@@H]1CC[C@H](CC1)C(O)=O
OpenEye OEToolkits 1.5.0C1CC(CCC1CN)C(=O)O
CACTVS 3.341NC[CH]1CC[CH](CC1)C(O)=O
FormulaC8 H15 N O2
NameTRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
ChEMBLCHEMBL877
DrugBankDB00302
ZINCZINC000100071256
PDB chain1ceb 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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PDB1ceb 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.
Resolution2.07 Å
Binding residue
(original residue number in PDB)		R34 D54 D56 W61 Y63 R70 Y71
Binding residue
(residue number reindexed from 1)		R35 D55 D57 W62 Y64 R71 Y72
Annotation score1
Binding affinityMOAD: Kd~1uM
PDBbind-CN: -logKd/Ki=6.00,Kd=1uM
BindingDB: Kd=1100nM,IC50=3100nM,Ki=25000000nM
Enzymatic activity
Enzyme Commision number 3.4.21.7: plasmin.
External links
PDB RCSB:1ceb, PDBe:1ceb, PDBj:1ceb
PDBsum1ceb
PubMed8611560
UniProtP00747|PLMN_HUMAN Plasminogen (Gene Name=PLG)

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