Structure of PDB 8piw Chain A Binding Site BS01

Receptor Information
>8piw Chain A (length=129) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGS
TDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVS
DGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Ligand information
Ligand IDZHT
InChIInChI=1S/C25H36N6O4/c1-28(2)10-5-11-29-12-14-30(18-20-6-3-8-22(26-20)24(32)33)16-17-31(15-13-29)19-21-7-4-9-23(27-21)25(34)35/h3-4,6-9H,5,10-19H2,1-2H3,(H,32,33)(H,34,35)
InChIKeyPCYMPEWCWVVCFC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)Cc3cccc(n3)C(=O)O
CACTVS 3.385CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O
FormulaC25 H36 N6 O4
Name6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8piw Chain A Residue 202 [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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PDB8piw Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Resolution1.72 Å
Binding residue
(original residue number in PDB)		W62 L75 D101
Binding residue
(residue number reindexed from 1)		W62 L75 D101
Annotation score1
External links
PDB RCSB:8piw, PDBe:8piw, PDBj:8piw
PDBsum8piw
PubMed38738452
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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