Structure of PDB 8tce Chain B Binding Site BS01

Receptor Information
>8tce Chain B (length=89) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STGVQDCYRGDGQSYRGTLSTTITGRTCQSWSSMTPHWHRRIPLYYPNAG
LTRNYCRNPDAEIRPWCYTMDPSVRWEYCNLTRCPVTES
Ligand information
Ligand IDHWF
InChIInChI=1S/C13H17NO2/c15-13(16)12(11-6-7-14-9-11)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2,(H,15,16)/t11-,12-/m0/s1
InChIKeyOSTNIMGVYREMID-RYUDHWBXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)[CH](Cc1ccccc1)[CH]2CCNC2
CACTVS 3.385OC(=O)[C@@H](Cc1ccccc1)[C@H]2CCNC2
OpenEye OEToolkits 2.0.7c1ccc(cc1)C[C@@H]([C@H]2CCNC2)C(=O)O
ACDLabs 12.01O=C(O)C(Cc1ccccc1)C1CCNC1
OpenEye OEToolkits 2.0.7c1ccc(cc1)CC(C2CCNC2)C(=O)O
FormulaC13 H17 N O2
Name(2S)-3-phenyl-2-[(3R)-pyrrolidin-3-yl]propanoic acid;
LY3353871
ChEMBL
DrugBank
ZINC
PDB chain8tce Chain B Residue 101 [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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PDB8tce Lipoprotein(a) Kringle IV domain 8 - Lp(a) KIV8 in complex with LY3353871
Resolution1.07 Å
Binding residue
(original residue number in PDB)		D54 E56 W60 Y62 R69 W70
Binding residue
(residue number reindexed from 1)		D60 E62 W66 Y68 R75 W76
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.-
External links
PDB RCSB:8tce, PDBe:8tce, PDBj:8tce
PDBsum8tce
PubMed38720069
UniProtP08519|APOA_HUMAN Apolipoprotein(a) (Gene Name=LPA)

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