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MolNFT v1 · #143697 · protein

Structures of the two-chain human plasma factor xiia co-crystallized with potent inhibitors

6B77: “Structures of the two-chain human plasma factor xiia co-crystallized with potent inhibitors”. X-ray diffraction, 4 ligands (CWV, NAG, SO4). MolNFT v1 #143697 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6B77
Type
protein
Length
252 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00748
Ligands
CWV, NAG, SO4, IOD

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein9—P00748
B—protein243—P00748

Ligands and binding sites

  • CWV · [3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid · ligand · chains B
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
  • SO4 · Sulfate ion · ion · 3 copies · chains B
  • IOD · Iodide ion · ion · 2 copies · chains B
  • GOL · Glycerol · additive · chains B

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

Compared structures

  • 6B77 · Structures of the two-chain human plasma factor XIIa co-crystallized with potent… · the same entry in another collection · chain A against A, 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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