Structure of PDB 1b2i Chain A Binding Site BS01

Receptor Information
>1b2i Chain A (length=83) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSEECMHGSGENYDGKISKTMSGLECQAWDSQSPHAHGYIPSKFPNKNLK
KNYCRNPDRELRPWCFTTDPNKRWELCDIPRCT
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 chain1b2i Chain A Residue 84 [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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PDB1b2i Solution structure and dynamics of the plasminogen kringle 2-AMCHA complex: 3(1)-helix in homologous domains.
ResolutionN/A
Binding residue
(original residue number in PDB)		Y36 D55 E57 W62 R71 W72
Binding residue
(residue number reindexed from 1)		Y39 D58 E60 W64 R73 W74
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=5.51,IC50=3.1uM
BindingDB: Kd=1100nM,IC50=3100nM,Ki=25000000nM
Enzymatic activity
Enzyme Commision number 3.4.21.7: plasmin.
External links
PDB RCSB:1b2i, PDBe:1b2i, PDBj:1b2i
PDBsum1b2i
PubMed10625440
UniProtP00747|PLMN_HUMAN Plasminogen (Gene Name=PLG)

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