MolNFT v1 · #190027 · protein

Crystal structure of legionella pneumophila effector protein LPG0081

7WBK: “Crystal structure of legionella pneumophila effector protein LPG0081”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.83). MolNFT v1 #190027 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7WBK
Type: protein
Length: 830 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LPG0081
UniProt: Q5ZZD0
Ligands: SO4
Pockets: 9 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	LPG0081	protein	415	34% helix, 23% strand	Q5ZZD0

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1182	0.83	0.84	123	SO4
2	61	0.74	0.99	21	empty
3	60	0.73	0.99	19	empty
4	469	0.69	0.80	58	SO4
5	93	0.39	0.77	21	empty

Interfaces

1 interface between chains.

A–B · 1001 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

7WBK · Crystal structure of Legionella pneumophila effector protein Lpg0081 · 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 Q5ZZD0
Elsewhere: RCSB PDB 7WBK · PDBe 7WBK · UniProt Q5ZZD0

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