GL1X · GenesisL1 explorer

MolNFT v1 · #120726 · protein

Holo acyl carrier protein (holo-acp) from helicobacter pylori

5H9H: “Holo acyl carrier protein (holo-acp) from helicobacter pylori”. X-ray diffraction, 4 pockets (best druggability 0.56). MolNFT v1 #120726 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5H9H
Type
protein
Length
223 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acyl carrier protein
UniProt
B6JLE2
Pockets
4 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CAcyl carrier proteinprotein7462% helix, 3% strandB6JLE2
BAcyl carrier proteinprotein7559% helix, 3% strandB6JLE2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13280.560.7530empty
21090.370.7416empty
3530.270.7416empty
4510.250.7311empty

Interfaces

3 interfaces between chains.

  • A–B · 323 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 316 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 41 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 3 modified (nonstandard).

Compared structures

  • 5H9H · holo acyl carrier protein (holo-ACP) from Helicobacter pylori · the same entry in another collection · chain A against A, TM-score 1.00
  • B6JLE2 · AlphaFold monomer V2.0 prediction for acyl carrier protein (B6JLE2) · a predicted model of the same protein · chain A against A, TM-score 0.99

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