5N2S: Stabilized A1 receptor

Crystal structure of stabilized A1 receptor in complex with PSB36 at 3.3A resolution. Determined by X-ray diffraction at 3.3 Å resolution. Released 26 Jul 2017.

Method: X-ray diffraction
Resolution: 3.3 Å
Organisms: Escherichia coli, Homo sapiens
Chains: 1
Atoms: 3,029
Mol. weight: 49.02 kDa
Ligands: 8K8
Released: 26 Jul 2017

Explore 5N2S in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5N2S contains 19 α-helices and 2 β-strands across 1 chain. 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: 19 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	1003-1018	16
α-helix	1023-1041	19
α-helix	1056-1080	25
α-helix	1084-1100	17
α-helix	1112-1140	29
α-helix	1149-1162	14
α-helix	1163-1167	5
α-helix	1168-1176	9
β-strand	1180-1181	2	1
α-helix	1182-1215	34
α-helix	1220-1223	4
α-helix	1226-1244	19
α-helix	1246-1249	4
α-helix	1254-1263	10
β-strand	1271-1272	2	1
α-helix	1276-1279	4
α-helix	1282-1283	2
α-helix	1284-1290	7
α-helix	1295-1314	20
α-helix	1328-1364	37
α-helix	1372-1399	28

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Soluble cytochrome b562,Adenosine receptor A1	A	protein	436	Escherichia coli, Homo sapiens	P0ABE7 (AlphaFold model), P30542 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5N2S_1 Soluble cytochrome b562,Adenosine receptor A1 (chains A)
ASADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEM
KDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLASSISAFQAAYI
GIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVLVGALVIPLAILINIGP
QTYFHTCLMVACPVLILAQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWI
LSFVVGLTPMFGWNNLSAVERAWAAAGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPL
LLMVLIYLEVFALIRKQLNKKVSASSGDPQKYYGKELKIAKSAALIAFLFALSWLPLHIL
NCITLFCPSCHKPSILTYIAIFLAHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRSQPAP
PIDAAAHHHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
8K8	1-butyl-3-(3-oxidanylpropyl)-8-[(1~{R},5~{S})-3-tricyclo[3.3.1.0^{3,7}]nonanyl]…	C21 H30 N4 O3	1

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

Primary citation

Structures of Human A1 and A2A Adenosine Receptors with Xanthines Reveal Determinants of Selectivity. Cheng, R.K.Y., Segala, E., Robertson, N. et al. Structure (2017) 25:1275-1285.e4. DOI 10.1016/j.str.2017.06.012 · 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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