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MolNFT v1 · #150420 · protein

Crystal structure of recombinant coagulation factor beta-xiia

6GT6 · Coagulation factor XII: “Crystal structure of recombinant coagulation factor beta-xiia”. X-ray diffraction, 4 ligands (CYS, NAG, MAN), 1 pocket (best druggability 0.43). MolNFT v1 #150420 on GenesisL1: 3D structure, binding sites…

PDB
6GT6
Type
protein
Length
238 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Coagulation factor XII
EC
3.4.21.38
UniProt
P00748
Ligands
CYS, NAG, MAN, SO4
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BCoagulation factor XII (EC 3.4.21.38)protein23810% helix, 34% strandP00748

Ligands and binding sites

  • CYS · Cysteine · ligand · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
  • MAN · alpha-D-mannopyranose · sugar
  • SO4 · Sulfate ion · ion · chains B
  • GOL · Glycerol · additive · chains B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1870.430.7926empty

Modifications

Observed in the structure: 6 disulfide, 1 covalent, 1 glycan (disulfide, covalent ligand, N-glycosylation).

Compared structures

  • 6GT6 · Crystal structure of recombinant coagulation factor beta-XIIa · the same entry in another collection · chain B against B, TM-score 1.00
  • P00748 · AlphaFold monomer V2.0 prediction for coagulation factor XII (P00748) · a predicted model of the same protein · chain B against A, TM-score 0.96

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