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MolNFT v1 · #146270 · protein

Lpoa N-terminal domain from haemophilus influenzae; monoclinic form at 1.35 a resolution

6DCJ · Penicillin-binding protein activator lpoa: “Lpoa N-terminal domain from haemophilus influenzae; monoclinic form at 1.35 a resolution”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.64). MolNFT v1 #146270 on…

PDB
6DCJ
Type
protein
Length
442 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Penicillin-binding protein activator lpoa
UniProt
P45299
Ligands
CL
Pockets
5 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPenicillin-binding protein activator lpoaprotein22174% helix, 0% strandP45299

Ligands and binding sites

  • CL · Chloride ion · ion · 2 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11470.640.8624CL
21400.620.8626CL
32820.580.7841empty
4500.290.7511empty
5540.260.7413empty

Interfaces

1 interface between chains.

  • A–B · 484 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6DCJ · LpoA N-terminal domain from Haemophilus influenzae; monoclinic form at 1.35 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P45299 · AlphaFold monomer V2.0 prediction for penicillin-binding protein activator lpoa (P45299) · a predicted model of the same protein · chain A against A, TM-score 0.97

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