7JNI: Angiotensin II type 2 receptoror

Crystal structure of the angiotensin II type 2 receptoror (AT2R) in complex with EMA401. Determined by X-ray diffraction at 3.0 Å resolution. Released 9 Feb 2022.

Method: X-ray diffraction
Resolution: 3.0 Å
Organisms: Escherichia coli, Homo sapiens
Chains: 2
Atoms: 6,572
Mol. weight: 96.73 kDa
Ligands: OLC, OLA, HEZ, VFD
Released: 9 Feb 2022

Explore 7JNI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7JNI contains 41 α-helices and 4 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: 21 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1003-1018	16
α-helix	1023-1041	19
α-helix	1046-1048	3
α-helix	1056-1080	25
α-helix	1084-1104	21
α-helix	901-903	3
α-helix	46-71	26
α-helix	75-77	3
α-helix	78-94	17
α-helix	97-105	9
α-helix	114-147	34
α-helix	151-154	4
α-helix	159-174	16
α-helix	176-181	6
β-strand	182-187	6	1
β-strand	192-197	6	1
α-helix	201-203	3
α-helix	204-216	13
α-helix	217-221	5
α-helix	222-241	20
α-helix	245-283	39
α-helix	290-317	28
α-helix	322-332	11

Chain B: 20 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1003-1018	16
α-helix	1023-1040	18
α-helix	1046-1048	3
α-helix	1056-1080	25
α-helix	1084-1104	21
α-helix	46-71	26
α-helix	76-77	2
α-helix	78-94	17
α-helix	97-105	9
α-helix	114-147	34
α-helix	157-174	18
α-helix	176-181	6
β-strand	182-187	6	2
β-strand	192-197	6	2
α-helix	201-203	3
α-helix	204-216	13
α-helix	217-221	5
α-helix	222-241	20
α-helix	247-283	37
α-helix	290-314	25
α-helix	315-319	5
α-helix	322-332	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble cytochrome b562,Type-2 angiotensin II receptor	A, B	protein	412	Escherichia coli, Homo sapiens	P0ABE7 (AlphaFold model), P50052 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7JNI_1 Soluble cytochrome b562,Type-2 angiotensin II receptor (chains A, B)
GADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMK
DFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLGSGSCSQKPSDKH
LDAIPILYYIIFVIGFLVNIVVVTLFCCQKGPKKVSSIYIFNLAVADLLLLATLPLWATY
YSYRYDWLFGPVMCKVFGSFLTLNMFASIFFITCMSVDRYQSVIYPFLSQRRNPWQASYI
VPLVWCMACLSSLPTFYFRDVRTIEYLGVNACIMAFPPEKYAQWSAGIALMKNILGFIIP
LIFIATCYFGIRKHLLKTNSYGKNRITRDQVLKMAAAVVLAFIICWLPFHVLTFLDALAW
MGVINSCEVIAVIDLALPFAILLGFTNSCVNPFLYCFVGNRFQQKLRSVFRV

Ligands and cofactors

ID	Name	Formula	Copies
OLC	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	C21 H40 O4	3
OLA	Oleic acid	C18 H34 O2	4
HEZ	Hexane-1,6-diol	C6 H14 O2	1
VFD	Olodanrigan	C32 H29 N O5	2

Water and common crystallization additives (FMT) are not listed.

Primary citation

Inhibition of the angiotensin II type 2 receptor AT 2 R is a novel therapeutic strategy for glioblastoma. Perryman, R., Renziehausen, A., Shaye, H. et al. Proc Natl Acad Sci U S A (2022) 119:e2116289119-e2116289119. DOI 10.1073/pnas.2116289119 · 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

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