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MolNFT v1 · #99107 · protein

Bacterial sodium channel in high calcium, I222 space group, crystal 2

4LTP · Ion transport protein: “Bacterial sodium channel in high calcium, I222 space group, crystal 2”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.79). MolNFT v1 #99107 on GenesisL1: 3D structure, binding sites and…

PDB
4LTP
Type
protein
Length
552 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ion transport protein
UniProt
Q0ABW0
Ligands
CA
Pockets
5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DIon transport proteinprotein13879% helix, 0% strandQ0ABW0

Ligands and binding sites

  • CA · Calcium ion · metal · 7 copies · chains A, B, C, D

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
111280.790.8075empty
211570.750.7766CA
31050.580.8522empty
4500.280.7511empty
5510.260.7312empty

Interfaces

6 interfaces between chains.

  • B–C · 1452 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1443 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 1348 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 1328 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 75 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4LTP · Bacterial sodium channel in high calcium, I222 space group, crystal 2 · the same entry in another collection · chain A against A, TM-score 1.00

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