Structure of PDB 6asc Chain B Binding Site BS02

Receptor Information

>6asc Chain B (length=321) Species: 243274 (Thermotoga maritima MSB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

LKELKILHTSDWHLGVTSWTSSRPVDRREELKKALDKVVEEAEKREVDLI
LLTGDLLHSRNNPSVVALHDLLDYLKRMMRTAPVVVLPGNHDWKGLKLFG
NFVTSISSDITFVMSFEPVDVEAKRGQKVRILPFPYPDESEALRKNEGDF
RFFLESRLNKLYEEALKKEDFAIFMGHFTVEGLAGYAGIEQGREIIINRA
LIPSVVDYAALGHIHSFREIQKQPLTIYPGSLIRIDFGEEADEKGAVFVE
LKRGEPPRYERIDASPLPLKTLYYKKIDTSALKSIRDFCRNFPGYVRVVY
EEDSGILPDLMGEIDNLVKIE

Ligand information

Ligand ID

InChI

InChI=1S/Mn/q+2

InChIKey

WAEMQWOKJMHJLA-UHFFFAOYSA-N

SMILES

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

Formula

Name

MANGANESE (II) ION

PDB chain

6asc Chain B Residue 402 [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	6asc Targeting Allostery with Avatars to Design Inhibitors Assessed by Cell Activity: Dissecting MRE11 Endo- and Exonuclease Activities.
Resolution	2.15 Å
Binding residue (original residue number in PDB)	D14 H16 D58 H216 H218
Binding residue (residue number reindexed from 1)	D11 H13 D55 H213 H215
Annotation score	4

Enzymatic activity

Enzyme Commision number

3.1.-.-

Gene Ontology

	Molecular Function
GO:0004519	endonuclease activity
GO:0008408	3'-5' exonuclease activity
GO:0016787	hydrolase activity

	Biological Process
GO:0006259	DNA metabolic process

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Molecular Function

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Biological Process

External links

PDB	RCSB:6asc, PDBe:6asc, PDBj:6asc
PDBsum	6asc
PubMed	29523233
UniProt	Q9X1X0\|MRE11_THEMA DNA double-strand break repair protein Mre11 (Gene Name=mre11)

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