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MolNFT v1 · #174119 · protein

Structure of susd homologue BT3013 from bacteroides thetaiotaomicron

7BLL: “Structure of susd homologue BT3013 from bacteroides thetaiotaomicron”. X-ray diffraction, 3 pockets (best druggability 0.68). MolNFT v1 #174119 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7BLL
Type
protein
Length
608 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Susd homolog
UniProt
Q8A3E1
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASusd homologprotein60839% helix, 9% strandQ8A3E1

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11760.680.8738empty
2660.440.8217PEG
31440.440.7621empty

Modifications

Observed in the structure: 17 modified (engineered).

Compared structures

  • 7BLL · Structure of SusD homologue BT3013 from Bacteroides thetaiotaomicron · the same entry in another collection · chain A against A, TM-score 1.00

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