Structure of PDB 4u6p Chain A Binding Site BS05

Receptor Information

>4u6p Chain A (length=431) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LDKEKINKIIMEATKGSRFYGNELKKEKQVNQRIENMMQQKAQITSQQLR
KAQLQVDRFAMELEQSRNLSNTIVHIDMDAFYAAVEMRDNPELKDKPIAV
GSMSMLSTSNYHARRFGVRAAMPGFIAKRLCPQLIIVPPNFDKYRAVSKE
VKEILADYDPNFMAMSLDEAYLNITKHLEERQNWPEDKRRYFIKNSVVFG
TSAQEVVKEIRFRIEQKTTLTASAGIAPNTMLAKVCSDKNKPNGQYQILP
NRQAVMDFIKDLPIRKVSGIGKVTEKMLKALGIITCTELYQQRALLSLLF
SETSWHYFLHISLGLGSTHLTRDGERKSMSVERTFSEINKAEEQYSLCQE
LCSELAQDLQKERLKGRTVTIKLKNVNFEVKTRASTVSSVVSTAEEIFAI
AKELLKTEIDADFPHPLRLRLMGVRISSFPN

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

4u6p Chain A Residue 602 [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	4u6p Structure and mechanism of error-free replication past the major benzo[a]pyrene adduct by human DNA polymerase kappa.
Resolution	2.593 Å
Binding residue (original residue number in PDB)	D107 M108 D198
Binding residue (residue number reindexed from 1)	D77 M78 D168
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.7.7: DNA-directed DNA polymerase.

Gene Ontology

	Molecular Function
GO:0003684	damaged DNA binding
GO:0003887	DNA-directed DNA polymerase activity

	Biological Process
GO:0006281	DNA repair

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Molecular Function

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Biological Process

External links

PDB	RCSB:4u6p, PDBe:4u6p, PDBj:4u6p
PDBsum	4u6p
PubMed	27034468
UniProt	Q9UBT6\|POLK_HUMAN DNA polymerase kappa (Gene Name=POLK)

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