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Crystal structure of a putative lipid binding protein (BT_2261) from bacteroides thetaiotaomicron vpi-5482 at 2.20 a resolution

Analyse Crystal structure of a putative lipid binding protein (BT_2261) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3H3I
Type
protein
Length
414 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative lipid binding protein
UniProt
Q8A5H8
Ligands
SO4
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CPutative lipid binding proteinprotein1384% helix, 51% strandQ8A5H8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, C

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.400.8015empty

Interfaces

2 interfaces between chains.

  • A–B · 494 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 210 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

  • 3H3I · Crystal structure of a putative lipid binding protein (BT_2261) from bacteroides… · the same entry in another collection · chain A against A, TM-score 1.00

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