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MolNFT v1 · #185174 · protein

PFRH5 bound to monoclonal antibody R5.015 and R5.016 Fab fragments

7PHU · Reticulocyte-binding protein homolog 5: “PFRH5 bound to monoclonal antibody R5.015 and R5.016 Fab fragments”. X-ray diffraction, 15 pockets (best druggability 0.60). MolNFT v1 #185174 on GenesisL1: 3D structure, binding sites and…

PDB
7PHU
Type
protein
Length
1,172 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reticulocyte-binding protein homolog 5; Monoclonal antibody R5.015 heavy chain…
UniProt
Q8IFM5
Pockets
15 · best druggability 0.60

Structure

x-ray diffraction · 5 distinct chains · 26% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReticulocyte-binding protein homolog 5protein29580% helix, 5% strandQ8IFM5
BMonoclonal antibody R5.015 heavy chainprotein2229% helix, 51% strand—
CMonoclonal antibody R5.015 light chainprotein2128% helix, 49% strand—
DMonoclonal antibody R5.016 heavy chainprotein2329% helix, 49% strand—
EMonoclonal antibody R5.016 light chainprotein2116% helix, 50% strand—

Pockets

15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14480.600.7556empty
21670.550.8023empty
32090.530.7728empty
42460.530.7627empty
52350.480.7430empty

Interfaces

6 interfaces between chains.

  • D–E · 2059 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 1918 Ų buried · 21 hydrogen bonds · protein-protein
  • A–D · 811 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 649 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 473 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 disulfide (disulfide).

Compared structures

  • 7PHU · PfRH5 bound to monoclonal antibody R5.015 and R5.016 Fab fragments · 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

Analyse

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