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MolNFT v1 · #7184 · protein

Crystal structure of fibrinogen fragment D

1FZA: “Crystal structure of fibrinogen fragment D”. X-ray diffraction, 2 ligands (NAG, CA), 16 pockets (best druggability 0.64). MolNFT v1 #7184 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1FZA
Type
protein
Length
1,414 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fibrinogen
UniProt
P02671, P02675, P02679
Ligands
NAG, CA
Pockets
16 · best druggability 0.64

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DFibrinogenprotein8571% helix, 1% strandP02671
B, EFibrinogenprotein31322% helix, 21% strandP02675
C, FFibrinogenprotein30926% helix, 25% strandP02679

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B, E
  • CA · Calcium ion · metal · 2 copies · chains C, F

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

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.640.8428empty
22130.640.8326empty
32680.540.7631empty
41080.540.8326empty
52640.540.7638empty

Interfaces

8 interfaces between chains.

  • E–F · 2291 Ų buried · 28 hydrogen bonds · protein-protein
  • B–C · 2287 Ų buried · 28 hydrogen bonds · protein-protein
  • A–B · 2193 Ų buried · 28 hydrogen bonds · protein-protein
  • D–E · 2188 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 1080 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

  • 1FZA · Crystal structure of fibrinogen fragment D · the same entry in another collection · chain F against F, TM-score 1.00
  • P02675 · AlphaFold monomer V2.0 prediction for fibrinogen beta chain (P02675) · a predicted model of the same protein · chain E against A, TM-score 0.98
  • P02679 · AlphaFold monomer V2.0 prediction for fibrinogen gamma chain (P02679) · a predicted model of the same protein · chain C against A, TM-score 0.97
  • P02671 · AlphaFold monomer V2.0 prediction for fibrinogen alpha chain (P02671) · a predicted model of the same protein · chain D against A, TM-score 0.84

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