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Crystal structure of a putative lipoprotein (BF2707) from bacteroides fragilis nctc 9343 at 2.75 a resolution

Analyse Crystal structure of a putative lipoprotein (BF2707) from bacteroides fragilis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4GBS
Type
protein
Length
371 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative lipoprotein
UniProt
Q5LBW5
Ligands
SO4
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative lipoproteinprotein1858% helix, 49% strandQ5LBW5
BPutative lipoproteinprotein1866% helix, 49% strandQ5LBW5

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15050.620.7546empty
21400.440.7622empty

Interfaces

1 interface between chains.

  • A–B · 335 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 33 modified (methylation, engineered).

Compared structures

  • 4GBS · Crystal structure of a putative lipoprotein (BF2707) from Bacteroides fragilis NCTC 9343… · the same entry in another collection · chain A against A, TM-score 1.00

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