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MolNFT v1 · #17362 · protein

Crystal structure of escherichia COLI sigmae with the cytoplasmic domain of its anti-sigma rsea

1OR7 · RNA polymerase sigma-E factor: “Crystal structure of escherichia COLI sigmae with the cytoplasmic domain of its anti-sigma rsea”. X-ray diffraction, 2 pockets (best druggability 0.49). MolNFT v1 #17362 on GenesisL1: 3D structure…

PDB
1OR7
Type
protein
Length
475 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
RNA polymerase sigma-E factor; Sigma-E factor negative regulatory protein
UniProt
P0AGB6, P0AFX7
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 4 distinct chains · 74% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARNA polymerase sigma-E factorprotein18175% helix, 2% strandP0AGB6
CSigma-E factor negative regulatory proteinprotein6667% helix, 5% strandP0AFX7
BRNA polymerase sigma-E factorprotein16479% helix, 1% strandP0AGB6
FSigma-E factor negative regulatory proteinprotein6469% helix, 3% strandP0AFX7

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12160.490.7532empty
2560.350.7815empty

Interfaces

6 interfaces between chains.

  • A–C · 2879 Ų buried · 59 hydrogen bonds · protein-protein
  • B–F · 2823 Ų buried · 49 hydrogen bonds · protein-protein
  • A–B · 978 Ų buried · 6 hydrogen bonds · protein-protein
  • A–F · 238 Ų buried · 1 hydrogen bond · protein-protein
  • C–F · 121 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1OR7 · Crystal Structure of Escherichia coli sigmaE with the Cytoplasmic Domain of its… · the same entry in another collection · chain F against F, TM-score 1.00
  • P0AFX7 · AlphaFold monomer V2.0 prediction for anti-sigma-E factor rsea (P0AFX7) · a predicted model of the same protein · chain C against A, TM-score 0.89
  • P0AGB6 · AlphaFold monomer V2.0 prediction for ecf RNA polymerase sigma-E factor (P0AGB6) · a predicted model of the same protein · chain B against A, TM-score 0.55

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