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MolNFT v1 · #153347 · protein

Crystal structure of efeo-like protein ALGP7 containing samarium ion

6JBO · Alginate-binding protein: “Crystal structure of efeo-like protein ALGP7 containing samarium ion”. X-ray diffraction, 1 ligand (SM), 4 pockets (best druggability 0.85). MolNFT v1 #153347 on GenesisL1: 3D structure, binding sites and…

PDB
6JBO
Type
protein
Length
502 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Alginate-binding protein
UniProt
Q25C86
Ligands
SM
Pockets
4 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 75% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAlginate-binding proteinprotein25175% helix, 1% strandQ25C86

Ligands and binding sites

  • SM · Samarium (III) ion · metal · chains B
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18980.850.87102EDO
2660.490.8521EDO
3560.460.8519EDO
4680.450.8219empty

Interfaces

1 interface between chains.

  • A–B · 943 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6JBO · Crystal structure of EfeO-like protein Algp7 containing samarium ion · the same entry in another collection · chain B against B, TM-score 1.00

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