Structure of PDB 4bvw Chain B Binding Site BS01

Receptor Information
>4bvw Chain B (length=79) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCYHGDGQSYRGSFSTTVTGRTCQSWSSMTPHWHQRTTEYYPNGGLTRNY
CRNPDAEIRPWCYTMDPSVRWEYCALTQC
Ligand information
Ligand IDHKY
InChIInChI=1S/C10H11NO2/c12-10(13)8-1-2-9-6-11-4-3-7(9)5-8/h1-2,5,11H,3-4,6H2,(H,12,13)
InChIKeyQEMYLDYQDFRTRT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc2CNCCc2c1
OpenEye OEToolkits 1.9.2c1cc2c(cc1C(=O)O)CCNC2
ACDLabs 12.01O=C(O)c1ccc2c(c1)CCNC2
FormulaC10 H11 N O2
Name1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000016698348
PDB chain4bvw Chain B Residue 1082 [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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PDB4bvw Small Molecules Used to Decipher the Pathophysiological Roles of the Kringle Domains Kiv-7, - 10 and Kv of Apolipoprotein(A)
Resolution2.0 Å
Binding residue
(original residue number in PDB)
D54 E56 W60 Y62 R69 W70
Binding residue
(residue number reindexed from 1)
D55 E57 W61 Y63 R70 W71
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
External links
PDB RCSB:4bvw, PDBe:4bvw, PDBj:4bvw
PDBsum4bvw
PubMed
UniProtP08519|APOA_HUMAN Apolipoprotein(a) (Gene Name=LPA)

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