Structure of PDB 4o6a Chain A Binding Site BS05

Receptor Information

>4o6a Chain A (length=361) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQL
NTGSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRG
NPLSHFLEGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVT
LLIRNPEEISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPF
YLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRK
ECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNL
SSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEY
ERNNGFPIFDK

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

4o6a Chain A Residue 601 [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	4o6a The Cytosolic DNA Sensor cGAS Forms an Oligomeric Complex with DNA and Undergoes Switch-like Conformational Changes in the Activation Loop.
Resolution	1.859 Å
Binding residue (original residue number in PDB)	H378 C384 C385 C392
Binding residue (residue number reindexed from 1)	H233 C239 C240 C247
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.7.86: cyclic GMP-AMP synthase.

External links

PDB	RCSB:4o6a, PDBe:4o6a, PDBj:4o6a
PDBsum	4o6a
PubMed	24462292
UniProt	Q8C6L5\|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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