Structure of PDB 6k5q Chain A Binding Site BS01

Receptor Information
>6k5q 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 IDD2L
InChIInChI=1S/C26H51NO4S/c1-7-11-23(9-3)19-25-20-24(18-22(6)27(25)15-16-28)14-17-32(29,30)31-26(10-4)13-12-21(5)8-2/h16,21-26H,7-15,17-20H2,1-6H3/t21-,22-,23+,24+,25+,26-/m1/s1
InChIKeyKIJFPQMAPUEGBO-GBYFVPISSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC[C@H](CC)C[C@H]1C[C@H](C[C@H](N1CC=O)C)CCS(=O)(=O)O[C@H](CC)CC[C@H](C)CC
CACTVS 3.385CCC[C@H](CC)C[C@H]1C[C@@H](CC[S](=O)(=O)O[C@H](CC)CC[C@H](C)CC)C[C@@H](C)N1CC=O
OpenEye OEToolkits 2.0.7CCCC(CC)CC1CC(CC(N1CC=O)C)CCS(=O)(=O)OC(CC)CCC(C)CC
CACTVS 3.385CCC[CH](CC)C[CH]1C[CH](CC[S](=O)(=O)O[CH](CC)CC[CH](C)CC)C[CH](C)N1CC=O
FormulaC26 H51 N O4 S
Name[(3R,6R)-6-methyloctan-3-yl] 2-[(2S,4S,6R)-2-[(2S)-2-ethylpentyl]-6-methyl-1-(2-oxidanylideneethyl)piperidin-4-yl]ethanesulfonate
ChEMBL
DrugBank
ZINC
PDB chain6k5q Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6k5q Crystal structure of lysozyme complexed with a bioactive compound from Jatropha gossypiifolia
Resolution1.177 Å
Binding residue
(original residue number in PDB)		E35 N44 R45 N46 T47 D52 N59 W62 W63 W108
Binding residue
(residue number reindexed from 1)		E35 N44 R45 N46 T47 D52 N59 W62 W63 W108
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.17: lysozyme.
Gene Ontology
Molecular Function
GO:0003796 lysozyme activity
GO:0005515 protein binding
GO:0016231 beta-N-acetylglucosaminidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0042802 identical protein binding
Biological Process
GO:0016998 cell wall macromolecule catabolic process
GO:0031640 killing of cells of another organism
GO:0042742 defense response to bacterium
GO:0050829 defense response to Gram-negative bacterium
GO:0050830 defense response to Gram-positive bacterium
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6k5q, PDBe:6k5q, PDBj:6k5q
PDBsum6k5q
PubMed
UniProtP00698|LYSC_CHICK Lysozyme C (Gene Name=LYZ)

[Back to BioLiP]