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Structure of complement C5 in complex with cvf and SSL7

Analyse Structure of complement C5 in complex with cvf and SSL7 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PRX
Type
protein
Length
6,064 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement C5; Cobra venom factor; Superantigen-like protein 7
UniProt
P01031, Q91132, D3JIB2
Ligands
NAG
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 3 distinct chains · 14% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CComplement C5protein162618% helix, 33% strandP01031
B, DCobra venom factorprotein12158% helix, 49% strandQ91132
X, YSuperantigen-like protein 7protein19116% helix, 39% strandD3JIB2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains B, D, A, C

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110420.830.84108empty
23810.820.9152empty
38950.820.8496empty
48750.810.83109empty
510700.800.8182empty

Interfaces

7 interfaces between chains.

  • C–D · 2569 Ų buried · 39 hydrogen bonds · protein-protein
  • A–B · 2563 Ų buried · 33 hydrogen bonds · protein-protein
  • A–C · 1687 Ų buried · 21 hydrogen bonds · protein-protein
  • A–X · 977 Ų buried · 19 hydrogen bonds · protein-protein
  • C–Y · 976 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 44 disulfide, 6 glycan (disulfide, N-glycosylation).

Compared structures

  • 3PRX · Structure of Complement C5 in Complex with CVF and SSL7 · the same entry in another collection · chain Y against Y, TM-score 1.00
  • P01031 · AlphaFold monomer V2.0 prediction for complement C5 (P01031) · a predicted model of the same protein · chain A against A, TM-score 0.93
  • Q91132 · AlphaFold monomer V2.0 prediction for cobra venom factor (Q91132) · a predicted model of the same protein · chain B against A, TM-score 0.76

Analyse

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