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MolNFT v2 · #212259 · protein

Structure of C5a-pep bound mouse C5aR1 in complex with Go

8HPT · C5a anaphylatoxin chemotactic receptor 1: “Structure of C5a-pep bound mouse C5aR1 in complex with Go”. Electron microscopy at 3.39, 15 pockets (best druggability 0.80). MolNFT v2 #212259 on GenesisL1: 3D structure, binding sites and…

PDB
8HPT
Type
protein
Length
1,095 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.39
Source
Homo sapiens; Mus musculus; SYNTHETIC CONSTRUCT
Molecule
C5a anaphylatoxin chemotactic receptor 1; Mea-lys-pro-zal-alc-dar; Guanine…
UniProt
P30993, P09471, P62873, P59768
Pockets
15 · best druggability 0.80

Structure

electron microscopy · resolution 3.39 · 6 distinct chains · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC5a anaphylatoxin chemotactic receptor 1protein25580% helix, 0% strandP30993
DMea-lys-pro-zal-alc-darprotein60% helix, 0% strand—
BGuanine nucleotide-binding protein G(o) subunit alphaprotein20644% helix, 17% strandP09471
CGuanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1protein3387% helix, 46% strandP62873
GGuanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2protein5655% helix, 0% strandP59768
HAntibody fragment ScFv16protein2345% helix, 45% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17980.800.8468empty
2810.670.9218empty
32110.660.8440empty
46420.660.7676empty
51730.630.8421empty

Interfaces

6 interfaces between chains.

  • C–G · 1969 Ų buried · 6 hydrogen bonds · protein-protein
  • B–C · 1085 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 999 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 594 Ų buried · 9 hydrogen bonds · protein-protein
  • B–H · 465 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified, 2 disulfide, 1 d-amino (nonstandard, disulfide, D-amino acid).

Compared structures

  • P62873 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(T)… · a predicted model of the same protein · chain C against A, TM-score 0.99
  • P59768 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(I)/G(S)/G(O)… · a predicted model of the same protein · chain G against A, TM-score 0.91
  • P30993 · AlphaFold monomer V2.0 prediction for C5A anaphylatoxin chemotactic receptor 1 (P30993) · a predicted model of the same protein · chain A against A, TM-score 0.90
  • P09471 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(O) subunit… · a predicted model of the same protein · chain B against A, TM-score 0.79

Analyse

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