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MolNFT v1 · #156195 · protein

Crystal structure of the human formyl peptide receptor 2 in complex with wkymvm

6LW5 · Soluble cytochrome B562,N-formyl peptide receptor 2: “Crystal structure of the human formyl peptide receptor 2 in complex with wkymvm”. X-ray diffraction, 1 ligand (CLR), 5 pockets (best druggability 0.81). MolNFT v1 #156195 on…

PDB
6LW5
Type
protein
Length
433 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Soluble cytochrome B562,N-formyl peptide receptor 2; TRP-lys-tyr-met-val-qxv
UniProt
P0ABE7, P25090
Ligands
CLR
Pockets
5 · best druggability 0.81

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASoluble cytochrome B562,N-formyl peptide receptor 2protein42776% helix, 3% strandP0ABE7, P25090
BTRP-lys-tyr-met-val-qxvprotein60% helix, 0% strand—

Ligands and binding sites

  • CLR · Cholesterol · ligand · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11210.810.9822empty
22620.680.8431empty
33010.620.8037empty
4670.470.8313empty
5560.360.7812empty

Interfaces

1 interface between chains.

  • A–B · 852 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • 6LW5 · Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm · the same entry in another collection · chain A against A, TM-score 1.00
  • P25090 · AlphaFold monomer V2.0 prediction for N-formyl peptide receptor 2 (P25090) · a predicted model of the same protein · chain A against A, TM-score 0.67
  • P0ABE7 · AlphaFold monomer V2.0 prediction for soluble cytochrome B562 (P0ABE7) · a predicted model of the same protein · chain A against A, TM-score 0.23

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