6QAS: ULK1 in

Crystal structure of ULK1 in complexed with PF-03814735. Determined by X-ray diffraction at 1.75 Å resolution. Released 27 Feb 2019.

Method: X-ray diffraction
Resolution: 1.75 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,104
Mol. weight: 68.94 kDa
Ligands: CIT, 34W
Released: 27 Feb 2019

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

Secondary structure: helices and β-sheets

6QAS contains 28 α-helices and 28 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: 14 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	9-11	3	1
β-strand	14-25	12	1
β-strand	28-35	8	1
β-strand	42-47	6	1
α-helix	50-52	3
α-helix	53-67	15
β-strand	75	1	2
β-strand	78-83	6	1
β-strand	88-93	6	1
β-strand	99	1	2
α-helix	100-107	8
α-helix	112-132	21
β-strand	134-135	2	3
α-helix	141-143	3
β-strand	144-147	4	2
α-helix	156-158	3
β-strand	160-163	4	2
β-strand	170-171	2	3
β-strand	178	1	4
α-helix	185-187	3
α-helix	190-193	4
β-strand	198	1	4
α-helix	201-216	16
α-helix	226-235	10
α-helix	249-258	10
α-helix	263-265	3
α-helix	269-273	5
α-helix	276-279	4

Chain B: 14 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	9-11	3	5
β-strand	14-25	12	5
β-strand	28-35	8	5
β-strand	42-47	6	5
α-helix	50-52	3
α-helix	53-67	15
β-strand	75	1	6
β-strand	78-83	6	5
β-strand	88-93	6	5
β-strand	99	1	6
α-helix	100-107	8
α-helix	112-132	21
β-strand	134-135	2	7
α-helix	141-143	3
β-strand	144-147	4	6
α-helix	156-158	3
β-strand	160-163	4	6
β-strand	170-171	2	7
β-strand	178	1	8
α-helix	185-187	3
α-helix	190-193	4
β-strand	198	1	8
α-helix	201-216	16
α-helix	226-235	10
α-helix	249-258	10
α-helix	263-265	3
α-helix	269-273	5
α-helix	276-278	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Serine/threonine-protein kinase ULK1	A, B	protein	287	Homo sapiens	O75385 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6QAS_1 Serine/threonine-protein kinase ULK1 (chains A, B)
GGGSMEPGRGGTETVGKFEFSRKDLIGHGAFAVVFKGRHRAAHDLEVAVKCINKKNLAKS
QTLLGKEIKILKELKHENIVALYDFQEMANSVYLVMEYCNGGDLADYLHAMRTLSEDTIR
LFLQQIAGAMRLLHSKGIIHRDLKPQNILLSNPAGRRANPNSIRVKIADFGFARYLQSNM
MAATLCGSPMYMAPEVIMSQHYDGKADLWSIGTIVYQCLTGKAPFQASSPQDLRLFYEKN
KTLVPTIPRETSAPLRQLLLALLQRNHKDRMDFDEFFHHPFLDASPS

Ligands and cofactors

ID	Name	Formula	Copies
CIT	Citric acid	C6 H8 O7	2
34W	N-{2-[(1S,4R)-6-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-…	C23 H25 F3 N6 O2	3

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

Primary citation

Conservation of structure, function and inhibitor binding in UNC-51-like kinase 1 and 2 (ULK1/2). Chaikuad, A., Koschade, S.E., Stolz, A. et al. Biochem J (2019) 476:875-887. DOI 10.1042/BCJ20190038 · PubMed

Other PDB entries of the same protein (UniProt O75385 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6HYO 1.07 Å, Structure of ULK1 LIR motif bound to GABARAP
4WNO 1.56 Å, Structure of ULK1 bound to an inhibitor
6MNH 1.73 Å, ULK1 Unc-51 like autophagy activating kinase in complex with inhibitor BTC
5CI7 1.74 Å, Structure of ULK1 bound to a selective inhibitor
8P5I 1.83 Å, Kinase domain of mutant human ULK1 in complex with compound XMD-17-51
8P5L 1.84 Å, Kinase domain of mutant human ULK1 in complex with compound MRT67307
4WNP 1.88 Å, Structure of ULK1 bound to a potent inhibitor
8P5H 1.94 Å, Kinase domain of mutant human ULK1 in complex with compound CCT241533
9SE8 2.0 Å, Crystal structure of ULK1 in complex with inhibitor SBP-5147
8P5G 2.02 Å, Kinase domain of wild type human ULK1 in complex with compound CCT241533
9F32 2.1 Å, Crystal structure of ULK1 with a covalent compound GCL 99
8P5J 2.16 Å, Kinase domain of mutant human ULK1 in complex with compound WZ4003

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