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MolNFT v1 · #76353 · protein

Crystal structure of a putative transcriptional regulator (YP_001089212.1) from clostridium difficile 630 at 1.86 a resolution

3QI7: “Crystal structure of a putative transcriptional regulator (YP_001089212.1) from clostridium difficile 630 at…”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #76353 on GenesisL1: 3D structure, binding sites and…

PDB
3QI7
Type
protein
Length
714 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative transcriptional regulator
UniProt
Q183D5
Pockets
4 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 49% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative transcriptional regulatorprotein35849% helix, 18% strandQ183D5
BPutative transcriptional regulatorprotein35648% helix, 17% strandQ183D5

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111160.780.8089empty
23720.650.7947empty
33630.620.7841empty
4770.300.7319empty

Interfaces

1 interface between chains.

  • A–B · 607 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 24 modified (engineered).

Compared structures

  • 3QI7 · Crystal structure of a Putative transcriptional regulator (YP_001089212.1) from… · the same entry in another collection · chain A against A, TM-score 1.00

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