Structure of PDB 4ztr Chain A

Receptor sequence

>4ztrA (length=249) Species: 9606 (Homo sapiens)

QWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEH
QLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLS
KFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGELKIADFG
WGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYK
RISRVEFTFPDFVTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSS

3D structure

• PDB: 4ztr Discovery of a Selective Aurora A Kinase Inhibitor by Virtual Screening.
• Chain: A
• Resolution: 2.85 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D256 K258 E260 N261 D274 T292
• Catalytic site (residue number reindexed from 1): D130 K132 E134 N135 D148 T153
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	4RJ	A	R137 L139 G140 G142 V147 A160 K162 L194 R195 L196 Y212 A213 G216 R220 L263 A273 F275	R11 L13 G14 G16 V21 A34 K36 L68 R69 L70 Y86 A87 G90 R94 L137 A147 F149	PDBbind-CN: -logKd/Ki=8.30,Kd=5nM BindingDB: EC50=6000nM,IC50=2.0nM,Kd=5.0nM

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0000212 meiotic spindle organization
• GO:0000226 microtubule cytoskeleton organization
• GO:0000278 mitotic cell cycle
• GO:0006468 protein phosphorylation
• GO:0007052 mitotic spindle organization
• GO:0007098 centrosome cycle
• GO:0007100 mitotic centrosome separation
• GO:0051321 meiotic cell cycle

External links

• PDB: RCSB:4ztr, PDBe:4ztr, PDBj:4ztr
• PDBsum: 4ztr
• PubMed: 27391133
• UniProt: O14965|AURKA_HUMAN Aurora kinase A (Gene Name=AURKA)