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MolNFT v1 · #121078 · protein

Single chain recombinant globular head of the complement system protein C1Q

5HKJ · Complement C1Q subcomponent subunit A,COMPLEMENT C1Q…: “Single chain recombinant globular head of the complement system protein C1Q”. X-ray diffraction, 2 ligands (NAG, CA), 2 pockets (best druggability 0.63). MolNFT v1 #121078 on…

PDB
5HKJ
Type
protein
Length
402 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement C1Q subcomponent subunit A,COMPLEMENT C1Q subcomponent subunit C,COMPLEMENT…
UniProt
P02745, P02747, P02746
Ligands
NAG, CA
Pockets
2 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 1% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AComplement C1Q subcomponent subunit A,COMPLEMENT C1Q subcomponent subunit C,COMPLEMENT C1Q subcomponent subunit Bprotein4021% helix, 55% strandP02745, P02747, P02746

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11880.630.8326empty
2880.480.8221empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 5HKJ · Single Chain Recombinant Globular Head of the Complement System Protein C1q · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.38
  • P02747 · AlphaFold monomer V2.0 prediction for complement C1Q subcomponent subunit C (P02747) · a predicted model of the same protein · chain A against A, TM-score 0.34
  • 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 0.33

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