8GTI: PDB entry 8GTI

Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C205 by XFEL. Determined by X-ray diffraction at 2.2 Å resolution. Released 13 Sept 2023.

Method: X-ray diffraction
Resolution: 2.2 Å
Organisms: Homo sapiens, Enterobacteria phage T6
Chains: 2
Atoms: 3,403
Mol. weight: 52.7 kDa
Ligands: OLA, 0JS
Released: 13 Sept 2023

Explore 8GTI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8GTI contains 21 α-helices and 6 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 12 helices, 0 β-strands

Element	Residues	Length
α-helix	104-143	40
α-helix	145-148	4
α-helix	150-173	24
α-helix	178-183	6
α-helix	186-216	31
α-helix	228-232	5
α-helix	233-237	5
α-helix	239-253	15
α-helix	257-259	3
α-helix	270-295	26
α-helix	304-329	26
α-helix	338-365	28

Chain B: 9 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	1001-1009	9
β-strand	1012-1013	2	1
β-strand	1014	1	2
β-strand	1015-1017	3	1
β-strand	1023-1026	4	1
β-strand	1029-1032	4	1
α-helix	1037-1048	12
β-strand	1055	1	2
α-helix	1058-1077	20
α-helix	1083-1088	6
α-helix	1091-1110	20
α-helix	1113-1120	8
α-helix	1124-1132	9
α-helix	1135-1139	5
α-helix	1141-1153	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Isoform CRF-R2 of Corticotropin-releasing factor receptor 1	A	protein	284	Homo sapiens	P34998 (AlphaFold model)
Endolysin	B	protein	160	Enterobacteria phage T6	A0A346FJK3

Sequence of entity 1 (A), FASTA

>8GTI_1 Isoform CRF-R2 of Corticotropin-releasing factor receptor 1 (chains A)
MEILNEEKKSKVHYHVAAIINYLGHCISLVALLVAFVLFLRARSIRCLRNIIHANLIAAF
ILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTYS
TDRLRAWMFICIGWGVPFPIIVAWAIGKLYYDNEKCWAGKRPGVYTDYIYQGPMALVLLI
NFIFLFNIVRILMTKLRASTTSETIQARKAVKATLVLLPLLGITYMLAFVNPGEDEVSRV
VFIYFNAFLESFQGFFVSVFACFLNSEVRSAAAAHHHHHHHHHH

Sequence of entity 2 (B), FASTA

>8GTI_2 Endolysin (chains B)
NIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLSVAKSELDKAIGRNSNGVITKD
EAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRSALINMVFQMGETGVAGFTNSLRML
QQKRWDEAAVNLAKSRWYNQTPNRAKRVIATFRTGTWDAY

Ligands and cofactors

ID	Name	Formula	Copies
OLA	Oleic acid	C18 H34 O2	5
0JS	8-(4-bromanyl-2,6-dimethoxy-phenyl)-~{N}-butyl-~{N}-(cyclopropylmethyl)-2,7-dim…	C23 H30 Br N5 O2	1

Primary citation

Structure-based drug discovery of a corticotropin-releasing hormone receptor 1 antagonist using an X-ray free-electron laser. Kim, H., Lim, T., Ha, G.E. et al. Exp Mol Med (2023) 55:2039-2050. DOI 10.1038/s12276-023-01082-1 · PubMed

Other PDB entries of the same protein (UniProt P34998 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3EHU 1.96 Å, Crystal structure of the extracellular domain of human corticotropin releasing factor…
8GTM 2.6 Å, Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-C203 by XFEL
8GTG 2.75 Å, Corticotropin-releasing hormone receptor 1(CRF1R) bound with BMK-I-152 by XFEL
3EHS 2.76 Å, Crystal structure of the extracellular domain of human corticotropin releasing factor…
6P9X 2.91 Å, CRF1 Receptor Gs GPCR protein complex with CRF1 peptide
4K5Y 2.98 Å, Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex…
6PB0 3.0 Å, Cryo-EM structure of Urocortin 1-bound Corticotropin-releasing factor 1 receptor in…
4Z9G 3.18 Å, Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex…
3EHT 3.4 Å, Crystal structure of the extracellular domain of human corticotropin releasing factor…
2L27 NMR Structure of the ECD1 of CRF-R1 in complex with a peptide agonist

Browse structure collections

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