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MolNFT v1 · #162561 · protein

PFRH5 bound to monoclonal antibodies R5.004 and R5.016

6RCU · Reticulocyte binding protein homologue 5: “PFRH5 bound to monoclonal antibodies R5.004 and R5.016”. X-ray diffraction, 17 pockets (best druggability 0.65). MolNFT v1 #162561 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6RCU
Type
protein
Length
1,175 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reticulocyte binding protein homologue 5; R5.004 heavy chain; R5.004 light chain; R5.016…
UniProt
Q8IFM5
Pockets
17 · best druggability 0.65

Structure

x-ray diffraction · 5 distinct chains · 25% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReticulocyte binding protein homologue 5protein30474% helix, 5% strandQ8IFM5
BR5.004 heavy chainprotein2229% helix, 53% strand—
CR5.004 light chainprotein2117% helix, 49% strand—
DR5.016 light chainprotein2105% helix, 48% strand—
ER5.016 heavy chainprotein2289% helix, 48% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13530.650.8046empty
21000.650.9029empty
31290.590.8424empty
41770.510.7822empty
52850.510.7445empty

Interfaces

6 interfaces between chains.

  • D–E · 2134 Ų buried · 14 hydrogen bonds · protein-protein
  • B–C · 1588 Ų buried · 12 hydrogen bonds · protein-protein
  • A–E · 792 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 657 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 377 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 6RCU · PfRH5 bound to monoclonal antibodies R5.004 and R5.016 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8IFM5 · AlphaFold monomer V2.0 prediction for reticulocyte-binding protein homolog 5 (Q8IFM5) · a predicted model of the same protein · chain A against A, TM-score 0.96

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