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MolNFT v1 · #129416 · protein

YCF48 bound to D1 peptide

5OJR · YCF48-like protein: “YCF48 bound to D1 peptide”. X-ray diffraction, 11 pockets (best druggability 0.85). MolNFT v1 #129416 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5OJR
Type
protein
Length
1,257 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
YCF48-like protein; Photosystem II protein D1 3
EC
1.10.3.9
UniProt
Q8DI95, Q8DIV4
Pockets
11 · best druggability 0.85

Structure

x-ray diffraction · 6 distinct chains · 2% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYCF48-like proteinprotein3081% helix, 48% strandQ8DI95
BYCF48-like proteinprotein3102% helix, 48% strandQ8DI95
CYCF48-like proteinprotein3011% helix, 48% strandQ8DI95
DYCF48-like proteinprotein3032% helix, 48% strandQ8DI95
EPhotosystem II protein D1 3 (EC 1.10.3.9)protein180% helix, 44% strandQ8DIV4
FPhotosystem II protein D1 3 (EC 1.10.3.9)protein1724% helix, 35% strandQ8DIV4

Pockets

11 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111250.850.86123empty
26550.830.8767empty
35480.810.8749empty
41870.540.7935empty
51370.540.8231empty

Interfaces

9 interfaces between chains.

  • A–E · 1078 Ų buried · 22 hydrogen bonds · protein-protein
  • B–F · 854 Ų buried · 14 hydrogen bonds · protein-protein
  • B–D · 832 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 822 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 293 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5OJR · YCF48 bound to D1 peptide · the same entry in another collection · chain F against F, TM-score 1.00
  • Q8DI95 · AlphaFold monomer V2.0 prediction for YCF48-like protein (Q8DI95) · a predicted model of the same protein · chain D against A, TM-score 0.99
  • Q8DIV4 · AlphaFold monomer V2.0 prediction for photosystem II protein D1 3 (Q8DIV4) · a predicted model of the same protein · chain F against A, TM-score 0.22

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