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MolNFT v1 · #162562 · protein

PFRH5 bound to monoclonal antibodies R5.011 and R5.016

6RCV · Reticulocyte binding protein homologue 5: “PFRH5 bound to monoclonal antibodies R5.011 and R5.016”. X-ray diffraction, 20 pockets (best druggability 0.60). MolNFT v1 #162562 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6RCV
Type
protein
Length
2,342 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reticulocyte binding protein homologue 5; R5.011 light chain; R5.011 heavy chain; R5.016…
UniProt
Q8IFM5
Pockets
20 · best druggability 0.60

Structure

x-ray diffraction · 9 distinct chains · 27% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReticulocyte binding protein homologue 5protein29978% helix, 3% strandQ8IFM5
BR5.011 light chainprotein2118% helix, 48% strand—
CR5.011 heavy chainprotein2247% helix, 49% strand—
D, IR5.016 light chainprotein2106% helix, 54% strand—
ER5.016 heavy chainprotein2326% helix, 46% strand—
FReticulocyte binding protein homologue 5protein29979% helix, 4% strandQ8IFM5
GR5.011 light chainprotein2108% helix, 50% strand—
HR5.011 heavy chainprotein2239% helix, 51% strand—
JR5.016 heavy chainprotein2246% helix, 46% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14710.600.7538empty
24740.600.7555empty
33020.520.7441empty
41740.520.7826empty
52790.500.7441empty

Interfaces

15 interfaces between chains.

  • D–E · 2097 Ų buried · 10 hydrogen bonds · protein-protein
  • B–C · 2005 Ų buried · 32 hydrogen bonds · protein-protein
  • I–J · 1969 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 1949 Ų buried · 26 hydrogen bonds · protein-protein
  • F–H · 1050 Ų buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 19 disulfide (disulfide).

Compared structures

  • 6RCV · PfRH5 bound to monoclonal antibodies R5.011 and R5.016 · the same entry in another collection · chain J against J, 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 F against A, TM-score 0.97

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