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Structural and biochemical characterization of fibrinogen binding to clfa from staphylocccus aureus

Analyse Structural and biochemical characterization of fibrinogen binding to clfa from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2VR3
Type
protein
Length
643 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Clumping factor a; Fibrinogen gamma-chain
UniProt
Q2G015, P02679
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AClumping factor aprotein3084% helix, 54% strandQ2G015
BClumping factor aprotein3105% helix, 55% strandQ2G015
CFibrinogen gamma-chainprotein120% helix, 83% strandP02679
DFibrinogen gamma-chainprotein130% helix, 85% strandP02679

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15800.680.7874empty
21200.600.8628empty
31830.600.8231empty
41270.360.7327empty
5500.310.7712empty

Interfaces

3 interfaces between chains.

  • A–C · 930 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 909 Ų buried · 27 hydrogen bonds · protein-protein
  • A–B · 508 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2VR3 · Structural and Biochemical Characterization of Fibrinogen binding to ClfA from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q2G015 · AlphaFold monomer V2.0 prediction for clumping factor a (Q2G015) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P02679 · AlphaFold monomer V2.0 prediction for fibrinogen gamma chain (P02679) · a predicted model of the same protein · chain D against A, TM-score 0.47

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