6SRH: ACVR1 (ALK2) kinase

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117. Determined by X-ray diffraction at 1.25 Å resolution. Released 18 Sept 2019.

Method: X-ray diffraction
Resolution: 1.25 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,942
Mol. weight: 72.5 kDa
Ligands: LU8, TLA
Released: 18 Sept 2019

Explore 6SRH in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6SRH contains 36 α-helices and 35 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: 17 helices, 17 β-strands

Element	Residues	Length	Sheet
β-strand	209-217	9	1
β-strand	220-227	8	1
β-strand	230-237	8	1
α-helix	239-241	3
α-helix	242-254	13
β-strand	262	1	2
α-helix	263-264	2
β-strand	265-272	8	1
β-strand	277-283	7	1
β-strand	290	1	2
α-helix	291-297	7
β-strand	300	1	3
α-helix	302-320	19
β-strand	323	1	4
β-strand	329	1	4
β-strand	331-333	3	5
α-helix	339-341	3
β-strand	342-344	3	2
β-strand	350-352	3	2
β-strand	359-361	3	5
α-helix	379-381	3
α-helix	384-387	4
α-helix	396-415	20
β-strand	418	1	3
β-strand	420	1	6
β-strand	423	1	6
α-helix	425-427	3
α-helix	441-445	5
α-helix	446-450	5
α-helix	459-463	5
α-helix	465-475	11
α-helix	482-484	3
α-helix	486-487	2
α-helix	488-496	9

Chain B: 19 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	208-217	10	7
β-strand	220-227	8	7
β-strand	230-237	8	7
α-helix	239-241	3
α-helix	242-252	11
α-helix	255-257	3
β-strand	262	1	8
α-helix	263-264	2
β-strand	265-273	9	7
β-strand	276-284	9	7
β-strand	290	1	8
α-helix	291-297	7
β-strand	300	1	9
α-helix	302-320	19
β-strand	323	1	10
β-strand	329	1	10
β-strand	331-333	3	11
α-helix	339-341	3
β-strand	342-344	3	8
β-strand	350-352	3	8
β-strand	359-362	4	11
β-strand	367-369	3	11
α-helix	379-381	3
α-helix	384-387	4
α-helix	396-415	20
β-strand	418	1	9
β-strand	420	1	12
β-strand	423	1	12
α-helix	425-427	3
α-helix	441-445	5
α-helix	446-450	5
α-helix	455-458	4
α-helix	459-463	5
α-helix	465-475	11
α-helix	482-484	3
α-helix	486-487	2
α-helix	488-497	10

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Activin receptor type-1	A, B	protein	301	Homo sapiens	Q04771 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6SRH_1 Activin receptor type-1 (chains A, B)
SMQRTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLR
HENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAH
LHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGT
KRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPND
PSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKI
D

Ligands and cofactors

ID	Name	Formula	Copies
LU8	4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine	C27 H32 N2 O3	4
TLA	L(+)-tartaric acid	C4 H6 O6	1

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

Primary citation

Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2117. Adamson, R.J., Williams, E.P., Smil, D. et al. To be published.

Other PDB entries of the same protein (UniProt Q04771 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5S75 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010913a
5S78 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010934a
5S7A 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with PK012456b
5S7H 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010914a
5S7I 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010928a
5S7N 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010920a
5S7S 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010921a
5S7T 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010926a
5S7X 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM000376d
5S7Z 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with NU074488b
5S87 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010953a
5S89 1.3 Å, XChem group deposition -- Crystal Structure of human ACVR1 in complex with FM010957a

Browse structure collections

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