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MolNFT v1 · #78510 · protein

Crystal structure of a leucine-rich repeat protein (BT_1240) from bacteroides thetaiotaomicron vpi-5482 at 1.99 a resolution

3SB4 · Hypothetical leucine rich repeat protein: “Crystal structure of a leucine-rich repeat protein (BT_1240) from bacteroides thetaiotaomicron vpi-5482 at…”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #78510 on…

PDB
3SB4
Type
protein
Length
657 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical leucine rich repeat protein
UniProt
Q8A8C7
Pockets
3 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical leucine rich repeat proteinprotein32914% helix, 30% strandQ8A8C7
BHypothetical leucine rich repeat proteinprotein32814% helix, 30% strandQ8A8C7

Ligands and binding sites

  • GOL · Glycerol · additive · 13 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16330.710.7989GOL
22880.590.7834GOL
32020.530.7833GOL

Interfaces

1 interface between chains.

  • A–B · 1015 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

  • 3SB4 · Crystal structure of a leucine-rich repeat protein (BT_1240) from Bacteroides… · the same entry in another collection · chain A against A, TM-score 1.00

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