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Lpoa (yram) C-domain from haemophilus influenzae, a regulator of PBP1A

Analyse Lpoa (yram) C-domain from haemophilus influenzae, a regulator of PBP1A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CKM
Type
protein
Length
318 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yram (HI1655)
UniProt
P45299
Ligands
SO4
Pockets
2 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYram (HI1655)protein31844% helix, 20% strandP45299

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • BME · Beta-mercaptoethanol · additive · chains A

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
14370.640.7856SO4
21090.430.7719BME

Modifications

Observed in the structure: 9 modified, 1 disulfide (engineered, disulfide).

Compared structures

  • 3CKM · LpoA (YraM) C-domain from Haemophilus influenzae, a regulator of PBP1A · 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 0.99

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