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MolNFT v1 · #61546 · protein

Crystal structure of the complex of the CAF1M chaperone with the mini- fiber of two CAF1 subunits (CAF1:CAF1), carrying the THR7PHE and ALA9VAL mutations in the gd donor strand

3DOS · Chaperone protein CAF1M: “Crystal structure of the complex of the CAF1M chaperone with the mini- fiber of two CAF1 subunits…”. X-ray diffraction, 9 pockets (best druggability 0.59). MolNFT v1 #61546 on GenesisL1: 3D structure…

PDB
3DOS
Type
protein
Length
954 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chaperone protein CAF1M; F1 capsule antigen
UniProt
P26926, P26948
Pockets
9 · best druggability 0.59

Structure

x-ray diffraction · 6 distinct chains · 3% helix, 53% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChaperone protein CAF1Mprotein2013% helix, 56% strandP26926
BF1 capsule antigenprotein1472% helix, 50% strandP26948
CF1 capsule antigenprotein1352% helix, 47% strandP26948
DChaperone protein CAF1Mprotein1913% helix, 57% strandP26926
EF1 capsule antigenprotein1492% helix, 53% strandP26948
FF1 capsule antigenprotein1312% helix, 49% strandP26948

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.590.8241empty
21900.550.8032empty
32960.550.7645empty
42510.520.7523empty
52640.510.7544empty

Interfaces

8 interfaces between chains.

  • D–E · 1749 Ų buried · 40 hydrogen bonds · protein-protein
  • A–B · 1669 Ų buried · 38 hydrogen bonds · protein-protein
  • B–C · 1263 Ų buried · 32 hydrogen bonds · protein-protein
  • E–F · 1224 Ų buried · 30 hydrogen bonds · protein-protein
  • B–D · 589 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3DOS · Crystal structure of the complex of the Caf1M chaperone with the mini-fiber of two Caf1… · the same entry in another collection · chain F against F, TM-score 1.00
  • P26926 · AlphaFold monomer V2.0 prediction for chaperone protein CAF1M (P26926) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P26948 · AlphaFold monomer V2.0 prediction for F1 capsule antigen (P26948) · a predicted model of the same protein · chain F against A, TM-score 0.96

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