MolNFT v1 · #66262 · protein

Staphylococcus aureus pathogenicity island 3 ORF9 protein

3HL6 · Pathogenicity island protein: “Staphylococcus aureus pathogenicity island 3 ORF9 protein”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.44). MolNFT v1 #66262 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3HL6
Type: protein
Length: 381 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pathogenicity island protein
UniProt: Q5HHI6
Ligands: CL
Pockets: 3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pathogenicity island protein	protein	189	49% helix, 16% strand	Q5HHI6
B	Pathogenicity island protein	protein	192	52% helix, 17% strand	Q5HHI6

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.44	0.74	31	empty
2	81	0.34	0.75	14	empty
3	78	0.34	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 1016 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3HL6 · Staphylococcus aureus pathogenicity island 3 ORF9 protein · 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 Q5HHI6
Elsewhere: RCSB PDB 3HL6 · PDBe 3HL6 · UniProt Q5HHI6

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