MolNFT v1 · #71219 · protein

Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with met-mannose

3M7J · Putidacin L1: “Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with met-mannose”. X-ray diffraction, 1 ligand (MMA), 3 pockets (best druggability 0.59). MolNFT v1 #71219 on GenesisL1: 3D structure, binding…

PDB: 3M7J
Type: protein
Length: 541 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putidacin L1
UniProt: Q8GEJ9
Ligands: MMA
Pockets: 3 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putidacin L1	protein	272	4% helix, 45% strand	Q8GEJ9
B	Putidacin L1	protein	269	4% helix, 44% strand	Q8GEJ9

Ligands and binding sites

MMA · methyl alpha-D-mannopyranoside · sugar · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	121	0.59	0.85	28	empty
2	186	0.53	0.78	26	empty
3	76	0.29	0.72	20	empty

Interfaces

1 interface between chains.

A–B · 432 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3M7J · Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with Met-mannose · 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 Q8GEJ9
Elsewhere: RCSB PDB 3M7J · PDBe 3M7J · UniProt Q8GEJ9

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