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MolNFT v1 · #68421 · protein

Crystal structure of putative transcription regulation repressor (laci family) from corynebacterium glutamicum

3JVD · Transcriptional regulators: “Crystal structure of putative transcription regulation repressor (laci family) from corynebacterium glutamicum”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.71). MolNFT v1 #68421 on…

PDB
3JVD
Type
protein
Length
513 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulators
UniProt
Q8NNY3
Ligands
SO4
Pockets
6 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulatorsprotein25543% helix, 22% strandQ8NNY3
BTranscriptional regulatorsprotein25841% helix, 22% strandQ8NNY3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14940.710.8144empty
22180.630.8227empty
31730.550.8025empty
41520.410.7422empty
5500.340.7812empty

Interfaces

1 interface between chains.

  • A–B · 1391 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3JVD · Crystal structure of putative transcription regulation repressor (LACI family) FROM… · the same entry in another collection · chain A against A, TM-score 1.00

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