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MolNFT v1 · #138801 · protein

Crystal structure of sigw in complex with its anti-sigma rsiw, a zinc binding form

5WUQ · Ecf RNA polymerase sigma factor sigw: “Crystal structure of sigw in complex with its anti-sigma rsiw, a zinc binding form”. X-ray diffraction, 1 ligand (ZN), 1 pocket (best druggability 0.60). MolNFT v1 #138801 on GenesisL1: 3D…

PDB
5WUQ
Type
protein
Length
452 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ecf RNA polymerase sigma factor sigw; Anti-sigma-W factor rsiw
UniProt
Q45585, Q45588
Ligands
ZN
Pockets
1 · best druggability 0.60

Structure

x-ray diffraction · 4 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEcf RNA polymerase sigma factor sigwprotein15875% helix, 0% strandQ45585
BEcf RNA polymerase sigma factor sigwprotein15574% helix, 0% strandQ45585
CAnti-sigma-W factor rsiwprotein7067% helix, 0% strandQ45588
DAnti-sigma-W factor rsiwprotein6968% helix, 0% strandQ45588

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains C, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14630.600.7558empty

Interfaces

6 interfaces between chains.

  • A–C · 1734 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 1698 Ų buried · 24 hydrogen bonds · protein-protein
  • A–D · 387 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 286 Ų buried · 3 hydrogen bonds · protein-protein
  • C–D · 179 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5WUQ · Crystal structure of SigW in complex with its anti-sigma RsiW, a zinc binding form · the same entry in another collection · chain D against D, TM-score 1.00
  • Q45585 · AlphaFold monomer V2.0 prediction for ecf RNA polymerase sigma factor sigw (Q45585) · a predicted model of the same protein · chain B against A, TM-score 0.97
  • Q45588 · AlphaFold monomer V2.0 prediction for anti-sigma-W factor rsiw (Q45588) · a predicted model of the same protein · chain C against A, TM-score 0.72

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