Structure of PDB 4lkl Chain A Binding Site BS02

Receptor Information

>4lkl Chain A (length=214) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

CHLSDMLQQLHSVNASKPSERGLVRQEEAEDPACIPIFWVSKWVDYSDKY
GLGYQLCDNSVGVLFNDSTRLILYNDGDSLQYIERDGTESYLTVSSHPNS
LMKKITLLKYFRNYMSEHLLKAGANITPLPYLRTWFRTRSAIILHLSNGS
VQINFFQDHTKLILCPLMAAVTYIDEKRDFRTYRLSLLEEYGCCKELASR
LRYARTMVDKLLSS

Ligand information

Ligand ID

ADM

InChI

InChI=1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+

InChIKey

ORILYTVJVMAKLC-YNFQOJQRSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	C1C2CC3CC1CC(C2)C3

Formula

C10 H16

Name

ADAMANTANE

PDB chain

4lkl Chain B Residue 101 [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	4lkl Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Resolution	1.58 Å
Binding residue (original residue number in PDB)	L491 R518
Binding residue (residue number reindexed from 1)	L120 R139
Annotation score	1
Binding affinity	PDBbind-CN: -logKd/Ki=6.09,IC50=0.82uM

Enzymatic activity

Enzyme Commision number

2.7.11.21: polo kinase.

External links

PDB	RCSB:4lkl, PDBe:4lkl, PDBj:4lkl
PDBsum	4lkl
PubMed	24223211
UniProt	P53350\|PLK1_HUMAN Serine/threonine-protein kinase PLK1 (Gene Name=PLK1)

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