MolNFT v1 · #95707 · protein

Structure of the Y250A mutant of the panton-valentine leucocidin S component from staphylococcus aureus

4IYA · Luks-pv: “Structure of the Y250A mutant of the panton-valentine leucocidin S component from staphylococcus aureus”. X-ray diffraction, 1 pocket (best druggability 0.39). MolNFT v1 #95707 on GenesisL1: 3D structure, binding sites and…

PDB: 4IYA
Type: protein
Length: 283 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Luks-pv
UniProt: O80066
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 61% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Luks-pv	protein	283	5% helix, 61% strand	O80066

Ligands and binding sites

FLC · Citrate anion · additive · 2 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	69	0.39	0.79	20	empty

Compared structures

4IYA · Structure of the Y250A mutant of the PANTON-VALENTINE LEUCOCIDIN S component from… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt O80066
Elsewhere: RCSB PDB 4IYA · PDBe 4IYA · UniProt O80066

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