4JKV: Human smoothened 7TM receptor

Structure of the human smoothened 7TM receptor in complex with an antitumor agent. Determined by X-ray diffraction at 2.45 Å resolution. Released 24 Apr 2013.

Method: X-ray diffraction
Resolution: 2.45 Å
Organisms: Escherichia coli, Homo sapiens
Chains: 2
Atoms: 7,390
Mol. weight: 110.45 kDa
Ligands: 1KS, OLC, OLA
Released: 24 Apr 2013

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

Secondary structure: helices and β-sheets

4JKV contains 47 α-helices and 19 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: 23 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	3-18	16
α-helix	23-42	20
α-helix	46-48	3
α-helix	56-80	25
α-helix	84-97	14
α-helix	98-102	5
β-strand	197-199	3	1
α-helix	203-205	3
β-strand	206-207	2	1
β-strand	210-215	6	1
β-strand	216	1	2
α-helix	224-254	31
α-helix	256-259	4
α-helix	266-282	17
α-helix	283-285	3
α-helix	289-294	6
β-strand	295	1	3
β-strand	300	1	2
β-strand	301	1	3
α-helix	302	1
β-strand	305	1	4
α-helix	307	1
α-helix	313-347	35
α-helix	361-378	18
β-strand	381-384	4	4
β-strand	389-392	4	4
α-helix	397-400	4
α-helix	401-405	5
α-helix	406-432	27
α-helix	443-492	50
α-helix	515-532	18
α-helix	533-536	4
α-helix	539-548	10

Chain B: 24 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	3-18	16
α-helix	23-42	20
α-helix	46-48	3
α-helix	56-79	24
α-helix	84-97	14
α-helix	98-102	5
α-helix	103-105	3
β-strand	197-199	3	5
α-helix	203-205	3
β-strand	213-215	3	5
β-strand	216	1	6
α-helix	224-254	31
α-helix	256-259	4
α-helix	264-282	19
α-helix	283-285	3
α-helix	289-294	6
β-strand	295	1	7
β-strand	300	1	6
β-strand	301	1	7
α-helix	302	1
β-strand	305	1	8
α-helix	313-345	33
α-helix	360-378	19
β-strand	381-384	4	8
β-strand	389-392	4	8
α-helix	397-400	4
α-helix	401-405	5
α-helix	406-432	27
α-helix	440-442	3
α-helix	443-490	48
α-helix	515-533	19
α-helix	534-536	3
α-helix	539-549	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble cytochrome b562, Smoothened homolog	A, B	protein	475	Escherichia coli, Homo sapiens	P0ABE7 (AlphaFold model), Q99835 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4JKV_1 Soluble cytochrome b562, Smoothened homolog (chains A, B)
GGTADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPE
MKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLSGQCEVPLVRT
DNPKSWYEDVEGCGIQCQNPLFTEAEHQDMHSYIAAFGAVTGLCTLFTLATFVADWRNSN
RYPAVILFYVNACFFVGSIGWLAQFMDGARREIVCRADGTMRLGEPTSNETLSCVIIFVI
VYYALMAGVVWFVVLTYAWHTSFKALGTTYQPLSGKTSYFHLLTWSLPFVLTVAILAVAQ
VDGDSVSGICFVGYKNYRYRAGFVLAPIGLVLIVGGYFLIRGVMTLFSIKSNHPGLLSEK
AASKINETMLRLGIFGFLAFGFVLITFSCHFYDFFNQAEWERSFRDYVLCQANVTIGLPT
KQPIPDCEIKNRPSLLVEKINLFAMFGTGIAMSTWVWTKATLLIWRRTWCRLTGQ

Ligands and cofactors

ID	Name	Formula	Copies
1KS	4-fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl]piperidin-4…	C26 H24 F4 N6 O	2
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	5
OLA	Oleic acid	C18 H34 O2	3

Water and common crystallization additives (PEG, PGE, PG4) are not listed.

Primary citation

Structure of the human smoothened receptor bound to an antitumour agent. Wang, C., Wu, H., Katritch, V. et al. Nature (2013) 497:338-343. DOI 10.1038/nature12167 · PubMed

Other PDB entries of the same protein (UniProt P0ABE7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6DYF 1.1 Å, Cu(II)-bound structure of the engineered cyt cb562 variant, CH3Y
5YO6 1.2 Å, Crystal Structure of B562RIL with engineered disulfide bond T9C-A36C
4JEA 1.22 Å, Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide…
7LSJ 1.26 Å, Cu-bound crystal structure of the engineered cyt cb562 variant, DiCyt2 - H63A,…
7MK4 1.27 Å, Co-bound crystal structure of the engineered cyt cb562 variant, DiCyt2
6DYC 1.33 Å, Co(II)-bound structure of the engineered cyt cb562 variant, CH3
5YO4 1.37 Å, Crystal Structure of B562RIL with engineered disulfide bond K27C-A79C
256B 1.4 Å, Improvement of the 2.5 Å resolution model of cytochrome B562 by redetermining the…
6OT4 1.4 Å, Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562
7LRV 1.4 Å, Ni-bound crystal structure of the engineered cyt cb562 variant, DiCyt2, crystallized in…
9PQ4 1.48 Å, Bi-bound structure of the H77C variant of TriCyt2
6DYG 1.49 Å, Fe(II)-bound structure of the engineered cyt cb562 variant, CH3Y

Browse more

4JKV is part of these collections:

GPCRs and cell signaling

About this viewer

MolViewer shows 4JKV directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.