GL1X · GenesisL1 explorer

MolNFT v1 · #5570 · protein

E. COLI alkaline phosphatase mutant (S102C)

1ELY: “E. COLI alkaline phosphatase mutant (S102C)”. X-ray diffraction, 3 ligands (ZN, MG, PO4), 6 pockets (best druggability 0.80). MolNFT v1 #5570 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1ELY
Type
protein
Length
898 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alkaline phosphatase
EC
3.1.3.1
UniProt
P00634
Ligands
ZN, MG, PO4
Pockets
6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAlkaline phosphatase (EC 3.1.3.1)protein44931% helix, 21% strandP00634

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.800.9925empty
21230.360.7322PO4
3530.350.7914empty
4500.330.7816empty
5950.330.7317empty

Interfaces

1 interface between chains.

  • A–B · 3977 Ų buried · 73 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1ELY · E. COLI alkaline phosphatase mutant (S102C) · the same entry in another collection · chain A against A, TM-score 1.00
  • P00634 · AlphaFold monomer V2.0 prediction for alkaline phosphatase (P00634) · a predicted model of the same protein · chain A against A, TM-score 1.00

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