› 8gti

X-ray diffraction
2.2Å resolution

Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL

Released:
DOI: 10.2210/pdb8gti/pdb
PDB entry 8gti coloured by chain, front view.
PDB entry 8gti coloured by chain, side view.
PDB entry 8gti coloured by chain, top view.
Source organisms:
Primary publication:
Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Kim H, Lim T, Ha GE, Lee JY, Kim JW, Chang N, Kim SH, Kim KH, Lee J, Cho Y, Kim BW, Abrahamsson A, Kim SH, Kim HJ, Park S, Lee SJ, Park J, Cheong E, Kim BM, Cho HS
OpenAccess logo Exp Mol Med (2023)
PMID: 37653040

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-269224 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Corticotropin-releasing factor receptor 1 Chain: A
Molecule details ›
Chain: A
Length: 284 amino acids
Theoretical weight: 32.69 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P34998 (Residues: 103-373; Coverage: 69%)
  • Best match: P34998-4 (Residues: 103-355)
Gene names: CRFR, CRFR1, CRHR, CRHR1
Sequence domains: 7 transmembrane receptor (Secretin family)
Endolysin Chain: B
Molecule details ›
Chain: B
Length: 160 amino acids
Theoretical weight: 18.11 KDa
Source organism: Enterobacteria phage T6
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: A0A346FJK3 (Residues: 2-161; Coverage: 98%)
Gene names: EcT6_00117, e
Sequence domains: Phage lysozyme

Ligands and Environments

2 bound ligands:
Ligand OLA 5 x OLA
Ligand 0JS 1 x 0JS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL-XFEL BEAMLINE NCI
Spacegroup: C2
Unit cell:
a: 95.66Å b: 70.65Å c: 86.75Å
α: 90° β: 97.82° γ: 90°
R-values:
R R work R free
0.209 0.208 0.237
Expression system: Spodoptera frugiperda

Quick links

Citations

1 mention without citation

Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser.
Kim et al. (2023)