MolNFT v1 · #118978 · protein

Structure of the effector protein LPIR1 (LPG0634) from legionella pneumophila

5FIA: “Structure of the effector protein LPIR1 (LPG0634) from legionella pneumophila”. X-ray diffraction, 11 pockets (best druggability 0.69). MolNFT v1 #118978 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5FIA
Type: protein
Length: 787 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: LPIR1
UniProt: A0A0C9P234
Pockets: 11 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	LPIR1	protein	390	67% helix, 3% strand	A0A0C9P234
B	LPIR1	protein	397	65% helix, 2% strand	A0A0C9P234

Ligands and binding sites

MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	650	0.69	0.77	56	MES
2	403	0.64	0.78	51	empty
3	517	0.62	0.75	49	empty
4	88	0.44	0.80	18	empty
5	141	0.42	0.74	18	empty

Interfaces

1 interface between chains.

A–B · 570 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

5FIA · Structure of the effector protein LpiR1 (Lpg0634) from Legionella pneumophila · 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 A0A0C9P234
Elsewhere: RCSB PDB 5FIA · PDBe 5FIA · UniProt A0A0C9P234

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