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MolNFT v1 · #176727 · protein

Crystal structure of apo (heme-free) pefr

7DVS · Marr family transcriptional regulator: “Crystal structure of apo (heme-free) pefr”. X-ray diffraction, 2 pockets (best druggability 0.76). MolNFT v1 #176727 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DVS
Type
protein
Length
502 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Marr family transcriptional regulator
UniProt
R4Z9I5
Pockets
2 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 64% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMarr family transcriptional regulatorprotein13968% helix, 9% strandR4Z9I5
BMarr family transcriptional regulatorprotein13866% helix, 9% strandR4Z9I5
CMarr family transcriptional regulatorprotein11663% helix, 10% strandR4Z9I5
DMarr family transcriptional regulatorprotein10956% helix, 10% strandR4Z9I5

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19650.760.7868empty
21130.390.7424empty

Interfaces

3 interfaces between chains.

  • A–B · 1427 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 564 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 464 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7DVS · Crystal structure of Apo (heme-free) PefR · the same entry in another collection · chain A against A, TM-score 1.00

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