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MolNFT v1 · #119177 · protein

Crystal structure of human complement C3B at 2.8 ångström resolution

5FO7 · Complement C3 beta chain: “Crystal structure of human complement C3B at 2.8 ångström resolution”. X-ray diffraction, 1 ligand (NAG), 19 pockets (best druggability 0.77). MolNFT v1 #119177 on GenesisL1: 3D structure, binding sites…

PDB
5FO7
Type
protein
Length
1,537 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Complement C3 beta chain; Complement C3B alpha' chain
UniProt
P01024
Ligands
NAG
Pockets
19 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AComplement C3 beta chainprotein6377% helix, 52% strandP01024
BComplement C3B alpha' chainprotein90026% helix, 32% strandP01024

Ligands and binding sites

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

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

Pockets

19 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110650.770.7985empty
24660.740.8344empty
33630.670.8155empty
44030.630.7849empty
52130.620.8234empty

Interfaces

1 interface between chains.

  • A–B · 5211 Ų buried · 67 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 5FO7 · Crystal Structure of Human Complement C3b at 2.8 Angstrom resolution · the same entry in another collection · chain B against B, TM-score 1.00
  • P01024 · AlphaFold monomer V2.0 prediction for complement C3 (P01024) · a predicted model of the same protein · chain A against A, TM-score 0.99

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