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MolNFT v1 · #8584 · protein

Maltose phosphorylase from lactobacillus brevis

1H54: “Maltose phosphorylase from lactobacillus brevis”. X-ray diffraction, 2 ligands (K, PO4), 19 pockets (best druggability 0.77). MolNFT v1 #8584 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1H54
Type
protein
Length
1,506 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Maltose phosphorylase
EC
2.4.1.8
Ligands
K, PO4
Pockets
19 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMaltose phosphorylase (EC 2.4.1.8)protein75232% helix, 25% strand—
BMaltose phosphorylase (EC 2.4.1.8)protein75434% helix, 26% strand—

Ligands and binding sites

  • K · Potassium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · chains B

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

Pockets

19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16130.770.8373PO4
210650.770.7976empty
3780.740.9718empty
41470.700.9027empty
51750.690.8833empty

Interfaces

1 interface between chains.

  • A–B · 2179 Ų buried · 27 hydrogen bonds · protein-protein

Compared structures

  • 1H54 · Maltose phosphorylase from Lactobacillus brevis · the same entry in another collection · chain A against A, TM-score 1.00

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