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Hapc-C25K23 Fab complex

Analyse Hapc-C25K23 Fab complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6M3B
Type
protein
Length
756 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Vitamin K-dependent protein C heavy chain; Vitamin K-dependent protein C light chain…
EC
3.4.21.69
UniProt
P04070
Ligands
NAG
Pockets
9 · best druggability 0.58

Structure

x-ray diffraction · 4 distinct chains · 9% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVitamin K-dependent protein C heavy chain (EC 3.4.21.69)protein22814% helix, 37% strandP04070
DVitamin K-dependent protein C light chain (EC 3.4.21.69)protein914% helix, 26% strandP04070
BC25K23 Fab L chainprotein2147% helix, 50% strand—
CC25K23 Fab H chainprotein2237% helix, 46% 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
12730.580.7840empty
22940.530.7547empty
32820.520.7537empty
4500.410.8214empty
51070.410.7622empty

Interfaces

4 interfaces between chains.

  • B–C · 1860 Ų buried · 18 hydrogen bonds · protein-protein
  • A–C · 816 Ų buried · 12 hydrogen bonds · protein-protein
  • A–D · 814 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 93 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 15 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6M3B · hAPC-c25k23 Fab complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P04070 · AlphaFold monomer V2.0 prediction for vitamin K-dependent protein C (P04070) · a predicted model of the same protein · chain A against A, TM-score 0.98

Analyse

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