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The crystal structure of bamb from moraxella catarrhalis

Analyse The crystal structure of bamb from moraxella catarrhalis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4IMM
Type
protein
Length
653 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane assembly lipoprotein yfgl
UniProt
D5VCM9
Ligands
NA, CA, MG
Pockets
5 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 1% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane assembly lipoprotein yfglprotein3311% helix, 52% strandD5VCM9
BOuter membrane assembly lipoprotein yfglprotein3220% helix, 53% strandD5VCM9

Ligands and binding sites

  • NA · Sodium ion · metal · 6 copies · chains A
  • CA · Calcium ion · metal · 3 copies · chains A, B
  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18540.700.7688NA
26020.660.7670CA
3920.590.8822MG
42060.490.7639empty
5810.370.7720empty

Interfaces

1 interface between chains.

  • A–B · 637 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4IMM · The crystal structure of BamB from Moraxella catarrhalis · the same entry in another collection · chain A against A, TM-score 1.00

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