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MolNFT v1 · #67795 · protein

Crystal structure of susd homolog (NP_809186.1) from bacteroides thetaiotaomicron vpi-5482 at 1.35 a resolution

3IV0: “Crystal structure of susd homolog (NP_809186.1) from bacteroides thetaiotaomicron vpi-5482 at 1.35 a…”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.46). MolNFT v1 #67795 on GenesisL1: 3D structure, binding sites…

PDB
3IV0
Type
protein
Length
466 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Susd homolog
UniProt
Q8AB38
Ligands
CL
Pockets
4 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASusd homologprotein46652% helix, 7% strandQ8AB38

Ligands and binding sites

  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.460.8118empty
21040.450.7824empty
3660.320.7520empty
4510.280.7516EDO

Modifications

Observed in the structure: 18 modified (engineered, oxidation).

Compared structures

  • 3IV0 · Crystal structure of SusD homolog (NP_809186.1) from BACTEROIDES THETAIOTAOMICRON… · the same entry in another collection · chain A against A, TM-score 1.00

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