5QIN: Tgf-beta receptor type 2 kinase domain

Tgf-beta receptor type 2 kinase domain in complex with N- {4-[3-(6-methoxypyridin-3-yl)-1H-PYRROLO[3,2-b]pyridin-2- yl]pyridin-2-yl}acetamide. Determined by X-ray diffraction at 1.57 Å resolution. Released 31 Oct 2018.

Method: X-ray diffraction
Resolution: 1.57 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,540
Mol. weight: 36.32 kDa
Ligands: MG, J2V
Released: 31 Oct 2018

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

Secondary structure: helices and β-sheets

5QIN contains 20 α-helices and 15 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: 20 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	244-252	9	1
β-strand	257-263	7	1
β-strand	272-280	9	1
α-helix	281-283	3
α-helix	284-294	11
β-strand	304	1	2
β-strand	307-315	9	1
β-strand	318-326	9	1
β-strand	332	1	2
α-helix	333-339	7
α-helix	341	1
β-strand	342	1	3
α-helix	343	1
α-helix	344-362	19
β-strand	365	1	4
β-strand	371	1	4
β-strand	375-376	2	5
α-helix	382-384	3
β-strand	385-387	3	2
β-strand	393-395	3	2
β-strand	402-403	2	5
α-helix	410-413	4
α-helix	422-424	3
α-helix	427-430	4
α-helix	440-459	20
β-strand	461	1	3
α-helix	462-464	3
α-helix	468-470	3
α-helix	484-488	5
α-helix	489-493	5
α-helix	502-506	5
α-helix	508-520	13
α-helix	525-527	3
α-helix	529-530	2
α-helix	531-539	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
TGF-beta receptor type-2	A	protein	316	Homo sapiens	P37173 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5QIN_1 TGF-beta receptor type-2 (chains A)
GHMHNTELLPIELDTLVGKGRFAEVYKAKLKQNTSEQFETVAVKIFPYEEYASWKTEKDI
FSDINLKHENILQFLTAEERKTELGKQYWLITAFHAKGNLQEYLTRHVISWEDLRKLGSS
LARGIAHLHSDHTPCGRPKMPIVHRDLKSSNILVKNDLTCCLCDFGLSLRLDPTLSVDDL
ANSGQVGTARYMAPEVLASAMNLENVESFKQTDVYSMALVLWEMTSRCNAVGEVKDYEPP
FGSKVREHPCVASMADNVLADAGRPEIPSFWLNHQGIQMVCETLTECWDHDPEARLTAQC
VAERFSELEHLDRLSG

Ligands and cofactors

ID	Name	Formula	Copies
MG	Magnesium ion	Mg	1
J2V	N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acet…	C20 H17 N5 O2	1

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

Primary citation

Discovery of 4-Azaindole Inhibitors of TGF beta RI as Immuno-oncology Agents. Zhang, Y., Zhao, Y., Tebben, A.J. et al. ACS Med Chem Lett (2018) 9:1117-1122. DOI 10.1021/acsmedchemlett.8b00357 · PubMed

Other PDB entries of the same protein (UniProt P37173 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1M9Z 1.05 Å, Crystal structure of human tgf-beta type II receptor ligand binding domain
8G4K 1.24 Å, Complex of TbRII mini protein binder bound to the TbRII ECD
4XJJ 1.4 Å, Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with…
9E9G 1.4 Å, Heligmosomoides polygyrus TGF-beta Mimic 6 Domain 3 (TGM6-D3) Bound to Human TGF-beta…
4P7U 1.5 Å, Extracellular domain of type II Transforming Growth Factor Beta receptor in complex with…
5E8V 1.69 Å, Tgf-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A,R495A)
5TX4 1.88 Å, Derivative of mouse TGF-beta2, with a deletion of residues 52-71 and K25R, R26K, L51R,…
5E8Y 2.05 Å, Tgf-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A,R495A) in complex…
5E92 2.08 Å, Tgf-beta receptor type 2 kinase domain (E431A,R433A,E485A,K488A,R493A,R495A) in complex…
8YGZ 2.1 Å, The Crystal Structure of TGF beta R2 kinase domain from Biortus.
1KTZ 2.15 Å, Crystal Structure of the Human TGF-beta Type II Receptor Extracellular Domain in Complex…
7DV6 2.39 Å, Discovery of Functionally Selective Transforming Growth Factor beta Type II Receptor…

Browse structure collections

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