4WSQ: Adaptor Protein 2 Associated Kinase

Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with small molecule inhibitor. Determined by X-ray diffraction at 1.95 Å resolution. Released 5 Nov 2014.

Method: X-ray diffraction
Resolution: 1.95 Å
Organism: Homo sapiens
Chains: 2
Atoms: 5,271
Mol. weight: 72.88 kDa
Ligands: KSA, ZN
Released: 5 Nov 2014

Explore 4WSQ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WSQ contains 33 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: 17 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	30-34	5
β-strand	38-41	4	1
β-strand	44-53	10	1
β-strand	59-65	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	133	1	2
α-helix	134-139	6
α-helix	148-166	19
β-strand	173	1	3
α-helix	179-181	3
β-strand	182-186	5	2
β-strand	189-192	4	2
β-strand	199	1	3
α-helix	205-208	4
α-helix	210-220	11
α-helix	223-225	3
α-helix	228-231	4
α-helix	242-257	16
α-helix	266-271	6
β-strand	276	1	4
α-helix	284-293	10
α-helix	304-314	11
α-helix	327-330	4
α-helix	333-337	5
β-strand	338	1	4
α-helix	339-344	6

Chain B: 16 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	38-39	2	5
α-helix	42-44	3
β-strand	46-53	8	5
β-strand	59-64	6	5
β-strand	70-78	9	5
α-helix	81-97	17
β-strand	103	1	6
α-helix	104-105	2
β-strand	106-113	8	5
β-strand	120-126	7	5
β-strand	133	1	6
α-helix	134-139	6
α-helix	148-166	19
β-strand	173	1	7
α-helix	179-181	3
β-strand	182-186	5	6
β-strand	189-192	4	6
β-strand	199	1	7
α-helix	205-208	4
α-helix	210-220	11
α-helix	223-225	3
α-helix	228-231	4
α-helix	242-257	16
α-helix	266-271	6
β-strand	276	1	8
α-helix	284-293	10
α-helix	304-314	11
α-helix	327-330	4
α-helix	333-337	5
β-strand	338	1	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
AP2-associated protein kinase 1	A, B	protein	317	Homo sapiens	Q2M2I8 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4WSQ_1 AP2-associated protein kinase 1 (chains A, B)
GLGSGYIGRVFGIGRQQVTVDEVLAEGGFAIVFLVRTSNGMKCALKRMFVNNEHDLQVCK
REIQIMRDLSGHKNIVGYIDSSINNVSSGDVWEVLILMDFCRGGQVVNLMNQRLQTGFTE
NEVLQIFCDTCEAVARLHQCKTPIIHRDLKVENILLHDRGHYVLCDFGSATNKFQNPQTE
GVNAVEDEIKKYTTLSYRAPEMVNLYSGKIITTKADIWALGCLLYKLCYFTLPFGESQVA
ICDGNFTIPDNSRYSQDMHCLIRYMLEPDPDKRPDIYQVSYFSFKLLKKECPIPNVQNSP
IPAKLPEPVKASEAAAK

Ligands and cofactors

ID	Name	Formula	Copies
KSA	K-252A	C27 H21 N3 O5	2
ZN	Zinc ion	Zn	6

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

Primary citation

Family-wide Structural Analysis of Human Numb-Associated Protein Kinases. Sorrell, F.J., Szklarz, M., Abdul Azeez, K.R. et al. Structure (2016) 24:401-411. DOI 10.1016/j.str.2015.12.015 · PubMed

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
5TE0 1.9 Å, Crystal Structure of Adaptor Protein 2 Associated Kinase (AAK1) in complex with BIBF 1120
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…

Browse structure collections

About this viewer

MolViewer shows 4WSQ directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.