Structure of PDB 6f7b Chain A Binding Site BS02

Receptor Information

>6f7b Chain A (length=343) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

APNFIVGNPWDDKLIFKLLSGLSKPVSSYPNTFEWQCKLPAIKPKTEFQL
GSKLVYVHHLLGEGAFAQVYEATQKNKQKFVLKVQKPANPWEFYIGTQLM
ERLKPSMQHMFMKFYSAHLFQNGSVLVGELYSYGTLLNAINLYKNTPEKV
MPQGLVISFAMRMLYMIEQVHDCEIIHGDIKPDNFILGNGFLEQDDEDDL
SAGLALIDLGQSIDMKLFPKGTIFTAKCETSGFQCVEMLSNKPWNYQIDY
FGVAATVYCMLFGTYMKVKNEECKPEGLFRRLPHLDMWNEFFHVMLNIPD
CHHLPSLDLLRQKLKKVFQQHYTNKIRALRNRLIVLLLECKRS

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

6f7b Chain A Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	6f7b Inhibition of BUB1 Kinase by BAY 1816032 Sensitizes Tumor Cells toward Taxanes, ATR, and PARP InhibitorsIn VitroandIn Vivo.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D917 D946 Q949 S969
Binding residue (residue number reindexed from 1)	D179 D208 Q211 S231
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.11.1: non-specific serine/threonine protein kinase.

Gene Ontology

	Molecular Function
GO:0004672	protein kinase activity
GO:0005524	ATP binding

	Biological Process
GO:0006468	protein phosphorylation
GO:0007094	mitotic spindle assembly checkpoint signaling

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Molecular Function

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Biological Process

External links

PDB	RCSB:6f7b, PDBe:6f7b, PDBj:6f7b
PDBsum	6f7b
PubMed	30429199
UniProt	O43683\|BUB1_HUMAN Mitotic checkpoint serine/threonine-protein kinase BUB1 (Gene Name=BUB1)

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