5TE0: Adaptor Protein 2 Associated Kinase

Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120. Determined by X-ray diffraction at 1.9 Å resolution. Released 2 Nov 2016.

Method: X-ray diffraction
Resolution: 1.9 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,830
Mol. weight: 40.47 kDa
Ligands: XIN
Released: 2 Nov 2016

Explore 5TE0 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5TE0 contains 17 α-helices and 16 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: 17 helices, 16 β-strands

Element	Residues	Length	Sheet
α-helix	31-34	4
β-strand	38-41	4	1
β-strand	44-55	12	1
β-strand	58-64	7	1
β-strand	70-78	9	1
α-helix	81-97	17
β-strand	103	1	2
α-helix	104-105	2
β-strand	106-113	8	1
β-strand	120-127	8	1
β-strand	132-133	2	2
α-helix	134-139	6
α-helix	148-167	20
β-strand	173	1	3
α-helix	179-181	3
β-strand	182-184	3	2
β-strand	190-192	3	2
β-strand	199	1	3
β-strand	203	1	4
α-helix	205-208	4
α-helix	210-220	11
α-helix	223-225	3
α-helix	228-231	4
β-strand	239	1	4
α-helix	242-257	16
α-helix	266-271	6
β-strand	275-276	2	5
α-helix	284-293	10
α-helix	304-315	12
α-helix	327-330	4
α-helix	333-336	4
β-strand	337-338	2	5
α-helix	339-344	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
AP2-associated protein kinase 1	A	protein	347	Homo sapiens	Q2M2I8 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5TE0_1 AP2-associated protein kinase 1 (chains A)
MTSGLGSGYIGRVFGIGRQQVTVDEVLAEGGFAIVFLVRTSNGMKCALKRMFVNNEHDLQ
VCKREIQIMRDLSGHKNIVGYIDSSINNVSSGDVWEVLILMDFCRGGQVVNLMNQRLQTG
FTENEVLQIFCDTCEAVARLHQCKTPIIHRDLKVENILLHDRGHYVLCDFGSATNKFQNP
QTEGVNAVEDEIKKYTTLSYRAPEMVNLYSGKIITTKADIWALGCLLYKLCYFTLPFGES
QVAICDGNFTIPDNSRYSQDMHCLIRYMLEPDPDKRPDIYQVSYFSFKLLKKECPIPNVQ
NSPIPAKLPEPVKASEAAAKKTQPKARLTDPIPTTETSIAAENLYFQ

Ligands and cofactors

ID	Name	Formula	Copies
XIN	methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](p…	C31 H33 N5 O4	1

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

Primary citation

Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120. Counago, R.M., Elkins, J.M., Arrowsmith, C.H. et al. To be published.

Other PDB entries of the same protein (UniProt Q2M2I8 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9F6S 1.0 Å, PDZ domain in complex with the peptide from AP2-associated protein kinase 1
9F8T 1.71 Å, Clathrin terminal domain complexed with C-terminus of AAK1L
4WSQ 1.95 Å, Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small…
5L4Q 1.97 Å, Crystal Structure of Adaptor Protein 2 Associated Kinase 1 (AAK1) in Complex with LKB1…
9QB5 2.0 Å, AP2-associated protein kinase 1 (AAK1) bound to CKJB68
8GMD 2.2 Å, CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH…
8GMC 2.5 Å, CRYSTAL STRUCTURE OF AP2 ASSOCIATED KINASE 1 COMPLEXED WITH…

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