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MolNFT v1 · #39972 · protein

A novel dimer interface and conformational changes revealed by an X- ray structure of B. subtilis seca

2IBM · Preprotein translocase seca subunit: “A novel dimer interface and conformational changes revealed by an X- ray structure of B. subtilis seca”. X-ray diffraction, 1 ligand (ADP), 20 pockets (best druggability 0.86). MolNFT v1 #39972…

PDB
2IBM
Type
protein
Length
1,550 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Preprotein translocase seca subunit
UniProt
P28366
Ligands
ADP
Pockets
20 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APreprotein translocase seca subunitprotein78049% helix, 10% strandP28366
BPreprotein translocase seca subunitprotein77052% helix, 11% strandP28366

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111760.860.87138empty
24720.780.8661empty
34740.770.8554empty
43990.760.8659empty
54370.750.8454empty

Interfaces

1 interface between chains.

  • A–B · 3249 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 2IBM · A novel dimer interface and conformational changes revealed by an X-ray structure of B.… · the same entry in another collection · chain A against A, TM-score 1.00
  • P28366 · AlphaFold monomer V2.0 prediction for protein translocase subunit seca (P28366) · a predicted model of the same protein · chain B against A, TM-score 0.96

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