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Globular head of C1Q in complex with the nanobody C1QNB75

Analyse Globular head of C1Q in complex with the nanobody C1QNB75 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z6V
Type
protein
Length
1,036 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement C1Q subcomponent subunit a; Complement C1Q subcomponent subunit B; Complement…
UniProt
P02745, P02746, P02747
Ligands
NAG
Pockets
9 · best druggability 0.64

Structure

x-ray diffraction · 7 distinct chains · 2% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AComplement C1Q subcomponent subunit aprotein1330% helix, 59% strandP02745
B, EComplement C1Q subcomponent subunit Bprotein1330% helix, 59% strandP02746
CComplement C1Q subcomponent subunit Cprotein1280% helix, 53% strandP02747
DComplement C1Q subcomponent subunit aprotein1330% helix, 51% strandP02745
FComplement C1Q subcomponent subunit Cprotein1312% helix, 53% strandP02747
GNanobody C1Q75protein1225% helix, 48% strand—
HNanobody C1Q75protein1235% helix, 48% strand—

Ligands and binding sites

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

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15600.640.7561empty
21000.530.8424empty
31950.500.7727empty
41400.440.7620empty
5610.360.7913empty

Interfaces

12 interfaces between chains.

  • D–E · 1083 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 1041 Ų buried · 10 hydrogen bonds · protein-protein
  • D–F · 1038 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 1006 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 985 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6Z6V · Globular head of C1q in complex with the nanobody C1qNb75 · the same entry in another collection · chain H against H, TM-score 1.00
  • P02746 · AlphaFold monomer V2.0 prediction for complement C1Q subcomponent subunit B (P02746) · a predicted model of the same protein · chain E against A, TM-score 0.99
  • P02747 · AlphaFold monomer V2.0 prediction for complement C1Q subcomponent subunit C (P02747) · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P02745 · AlphaFold monomer V2.0 prediction for complement C1Q subcomponent subunit a (P02745) · a predicted model of the same protein · chain A against A, TM-score 0.98

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