4K5Y: Human corticotropin-releasing factor receptor 1

Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395. Determined by X-ray diffraction at 2.98 Å resolution. Released 17 Jul 2013.

Method: X-ray diffraction
Resolution: 2.98 Å
Organisms: HOMO SAPIENS, ENTEROBACTERIA PHAGE T4
Chains: 3
Atoms: 8,823
Mol. weight: 156.77 kDa
Ligands: PGW, OLC, OLA, 1Q5
Released: 17 Jul 2013

Explore 4K5Y in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4K5Y contains 57 α-helices and 12 β-strands across 3 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: 22 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	116-143	28
α-helix	145-148	4
α-helix	150-176	27
α-helix	178-183	6
α-helix	186-218	33
α-helix	1002-1010	9
β-strand	1014-1015	2	1
β-strand	1016	1	2
β-strand	1017-1019	3	1
β-strand	1025-1028	4	1
β-strand	1031-1034	4	1
α-helix	1039-1050	12
β-strand	1057	1	2
α-helix	1060-1080	21
α-helix	1084-1090	7
α-helix	1093-1106	14
α-helix	1108-1112	5
α-helix	1115-1122	8
α-helix	1126-1135	10
α-helix	1138-1141	4
α-helix	1143-1155	13
α-helix	1159-232	12
α-helix	233-237	5
α-helix	239-253	15
α-helix	257-259	3
α-helix	270-296	27
α-helix	304-331	28
α-helix	339-367	29

Chain B: 22 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	116-143	28
α-helix	145-148	4
α-helix	150-174	25
α-helix	178-182	5
α-helix	186-218	33
α-helix	1002-1011	10
β-strand	1014-1015	2	3
β-strand	1016	1	4
β-strand	1017-1019	3	3
β-strand	1025-1028	4	3
β-strand	1031-1034	4	3
α-helix	1039-1050	12
β-strand	1057	1	4
α-helix	1060-1080	21
α-helix	1085-1090	6
α-helix	1093-1105	13
α-helix	1108-1112	5
α-helix	1115-1122	8
α-helix	1126-1134	9
α-helix	1137-1141	5
α-helix	1143-1155	13
α-helix	1159-232	12
α-helix	233-237	5
α-helix	239-252	14
α-helix	257-259	3
α-helix	270-296	27
α-helix	304-329	26
α-helix	344-367	24

Chain C: 13 helices, 0 β-strands

Element	Residues	Length
α-helix	118-143	26
α-helix	145-148	4
α-helix	150-174	25
α-helix	178-182	5
α-helix	186-218	33
α-helix	228-232	5
α-helix	233-237	5
α-helix	239-252	14
α-helix	257-259	3
α-helix	270-298	29
α-helix	304-331	28
α-helix	339-353	15
α-helix	355-366	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Corticotropin-releasing factor receptor 1, T4-Lysozyme chimeric construct	A, B, C	protein	441	HOMO SAPIENS, ENTEROBACTERIA PHAGE T4	P00720, P34998 (AlphaFold model)

Sequence of entity 1 (A, B, C), FASTA

>4K5Y_1 Corticotropin-releasing factor receptor 1, T4-Lysozyme chimeric construct (chains A, B, C)
MEILNEEKKSKVHYHVAAIINYLGHCISLVALLVAFVLFLRARSIRCLRNIIHANLIAAF
ILRNATWFVVQLTMSPEVHQSNVGWCRLVTAAYNYFHVTNFFWMFGEGCYLHTAIVLTNI
FEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLSVAKSELDKAIGRNSNGVITKDEA
EKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRSALINMVFQMGETGVAGFTNSLRMLQQ
KRWDEAAVNLAKSRWYNQTPNRAKRVIATFRTGTWDAYDRLRAWMFICIGWGVPFPIIVA
WAIGKLYYDNEKCWAGKRPGVYTDYIYQGPMALVLLINFIFLFNIVRILMTKLRASTTSE
TIQARKAVKATLVLLPLLGITYMLAFVNPGEDEVSRVVFIYFNAFLESFQGFFVSVFACF
LNSEVRSAAAAHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
PGW	(1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexade…	C40 H77 O10 P	3
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	3
OLA	Oleic acid	C18 H34 O2	2
1Q5	3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine	C21 H30 N2 O	3

Water and common crystallization additives (1PE, SO4) are not listed.

Primary citation

Structure of class B GPCR corticotropin-releasing factor receptor 1. Hollenstein, K., Kean, J., Bortolato, A. et al. Nature (2013) 499:438-443. DOI 10.1038/nature12357 · PubMed

Other PDB entries of the same protein (UniProt P00720), best resolution first:

2O7A 0.84 Å, T4 lysozyme C-terminal fragment
5JDT 1.0 Å, Structure of Spin-labelled T4 lysozyme mutant L118C-R1 at 100K
7LOE 1.01 Å, T4 lysozyme mutant L99A in complex with 1-fluoranylnaphthalene
7LOD 1.02 Å, T4 lysozyme mutant L99A in complex with 1-fluoranyl-4-iodanyl-benzene
7LX8 1.03 Å, T4 lysozyme mutant L99A
5XPF 1.04 Å, High-resolution X-ray structure of the T26H mutant of T4 lysozyme
6BG3 1.05 Å, Structure of (3S,4S)-1-benzyl-4-(3-(3-(trifluoromethyl)phenyl)ureido)piperidin-3-yl…
7LOF 1.05 Å, T4 lysozyme mutant L99A in complex with 2-butylthiophene
7LX6 1.05 Å, T4 lysozyme mutant L99A
7LX7 1.05 Å, T4 lysozyme mutant L99A
1SWY 1.06 Å, Use of a Halide Binding Site to Bypass the 1000-atom Limit to Ab initio Structure…
1SWZ 1.06 Å, Use of an ion-binding site to bypass the 1000-atom limit to ab initio structure…

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