4AF3: Human Aurora B Kinase

Human Aurora B Kinase in complex with INCENP and VX-680. Determined by X-ray diffraction at 2.75 Å resolution. Released 11 Apr 2012.

Method
X-ray diffraction
Resolution
2.75 Å
Organism
HOMO SAPIENS
Chains
2
Atoms
2,427
Mol. weight
42.4 kDa
Ligands
VX6
Released
11 Apr 2012

Explore 4AF3 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4AF3 contains 19 α-helices and 11 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: 15 helices, 11 β-strands

ElementResiduesLengthSheet
α-helix74-763
β-strand77-8261
β-strand8612
β-strand8912
β-strand90-9671
β-strand102-10981
α-helix110-1167
α-helix119-13012
β-strand13713
α-helix138-1392
β-strand140-14561
β-strand149-15571
β-strand16113
α-helix162-1698
α-helix174-19320
α-helix203-2053
β-strand206-20833
β-strand214-21633
α-helix242-2454
α-helix253-26816
α-helix278-2869
α-helix298-30710
α-helix312-3143
α-helix316-3172
α-helix318-3225
α-helix325-3306
Chain D: 4 helices, 0 β-strands
ElementResiduesLengthSheet
α-helix844-8463
α-helix848-86013
α-helix865-8695
α-helix873-8753

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Aurora kinase BAprotein292HOMO SAPIENSQ96GD4 (AlphaFold model)
Inner centromere proteinDprotein71HOMO SAPIENSQ9NQS7 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>4AF3_1 AURORA KINASE B (chains A)
SMQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQ
IEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTF
DEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKT
MCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKF
PASVPTGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA
Sequence of entity 2 (D), FASTA
>4AF3_2 INNER CENTROMERE PROTEIN (chains D)
SMEAHPRKPIPTWARGTPLSQAIIHQYYHPPNLLELFGTILPLDLEDIFKKSKPRYHKRT
SSAVWNSPPLQ

Ligands and cofactors

IDNameFormulaCopies
VX6Cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyra…C23 H28 N8 O S1

Primary citation

Crystal Structure of Human Aurora B in Complex with Incenp and Vx-680. Elkins, J.M., Santaguida, S., Musacchio, A. et al. J Med Chem (2012) 55:7841. DOI 10.1021/JM3008954 · PubMed

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