Structure of PDB 8pob Chain A Binding Site BS01

Receptor Information
>8pob 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 IDZW0
InChIInChI=1S/C23H31N5O7S/c29-22(30)20-6-1-4-18(24-20)16-27-11-9-26(8-3-15-36(33,34)35)10-12-28(14-13-27)17-19-5-2-7-21(25-19)23(31)32/h1-2,4-7H,3,8-17H2,(H,29,30)(H,31,32)(H,33,34,35)
InChIKeyYYZIWWSBAADROW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(CN2CCN(CCC[S](O)(=O)=O)CCN(CC2)Cc3cccc(n3)C(O)=O)n1
OpenEye OEToolkits 2.0.7c1cc(nc(c1)C(=O)O)CN2CCN(CCN(CC2)Cc3cccc(n3)C(=O)O)CCCS(=O)(=O)O
FormulaC23 H31 N5 O7 S
Name6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-(3-sulfopropyl)-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain8pob Chain A Residue 203 [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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PDB8pob Influence of Chemical Modifications of the Crystallophore on Protein Nucleating Properties and Supramolecular Interactions Network.
Resolution1.74 Å
Binding residue
(original residue number in PDB)		W62 D101 N103
Binding residue
(residue number reindexed from 1)		W62 D101 N103
Annotation score1
External links
PDB RCSB:8pob, PDBe:8pob, PDBj:8pob
PDBsum8pob
PubMed38738452
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

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