MolNFT v1 · #92563 · protein

Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with man ALPHA(1-2)MAN

4GC1 · Putidacin L1: “Crystal structure of the bacteriocin llpa from pseudomonas sp. in complex with man ALPHA(1-2)MAN”. X-ray diffraction, 1 ligand (MAN), 5 pockets (best druggability 0.61). MolNFT v1 #92563 on GenesisL1: 3D structure…

PDB: 4GC1
Type: protein
Length: 544 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putidacin L1
UniProt: Q8GEJ9
Ligands: MAN
Pockets: 5 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putidacin L1	protein	275	4% helix, 45% strand	Q8GEJ9
B	Putidacin L1	protein	269	4% helix, 44% strand	Q8GEJ9

Ligands and binding sites

MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A, B

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

Pockets

5 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	116	0.61	0.86	25	empty
2	169	0.50	0.77	23	empty
3	72	0.30	0.74	20	empty
4	75	0.30	0.73	17	empty
5	50	0.25	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 455 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4GC1 · Crystal structure of the bacteriocin LLPA from pseudomonas sp. in complex with Man… · 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 4GC1 · PDBe 4GC1 · UniProt Q8GEJ9

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