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Crystal structure of the anti-sigma factor rsiv bound to lysozyme

Analyse Crystal structure of the anti-sigma factor rsiv bound to lysozyme in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5JEN
Type
protein
Length
673 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-sigma-V factor rsiv; Lysozyme C
EC
3.2.1.17
UniProt
O05403, P00698
Ligands
NA, CL
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnti-sigma-V factor rsivprotein21027% helix, 35% strandO05403
B, DLysozyme C (EC 3.2.1.17)protein12941% helix, 11% strandP00698
CAnti-sigma-V factor rsivprotein20527% helix, 36% strandO05403

Ligands and binding sites

  • NA · Sodium ion · metal · 6 copies · chains A, B, C, D
  • CL · Chloride ion · ion · 2 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110380.730.7671empty
21550.510.7919empty
31400.460.7720empty
4740.440.8116empty
51420.410.7424empty

Interfaces

4 interfaces between chains.

  • A–B · 1471 Ų buried · 32 hydrogen bonds · protein-protein
  • C–D · 1460 Ų buried · 37 hydrogen bonds · protein-protein
  • A–C · 355 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 273 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 6 modified (disulfide, engineered).

Compared structures

  • 5JEN · Crystal structure of the anti-sigma factor RsiV bound to lysozyme · the same entry in another collection · chain A against A, TM-score 1.00
  • O05403 · AlphaFold monomer V2.0 prediction for anti-sigma-V factor rsiv (O05403) · a predicted model of the same protein · chain A against A, TM-score 1.00

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