Structure of PDB 7buj Chain B Binding Site BS01

Receptor Information

>7buj Chain B (length=362) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EPDKLKKVLDKLRLKRKDISEAAETVNKVVERLLRRMQKRESEFKGVEQL
NTGSYYEHVKISAPNEFDVMFKLEVPRIELQEYYETGAFYLVKFKRIPRG
NPLSHFLEGEVLSATKMLSKFRKIIKEEVKEIKDIDVSVEKEKPGSPAVT
LLIRNPEEISVDIILALESKGSWPISTKEGLPIQGWLGTKVRTNLRREPF
YLVPKNAKDGNSFQGETWRLSFSHTEKYILNNHGIEKTCCESSGAKCCRK
ECLKLMKYLLEQLKKEFQELDAFCSYHVKTAIFHMWTQDPQDSQWDPRNL
SSCFDKLLAFFLECLRTEKLDHYFIPKFNLFSQELIDRKSKEFLSKKIEY
ERNNGFPIFDKL

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

7buj Chain B 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	7buj Mn2+Directly Activates cGAS and Structural Analysis Suggests Mn2+Induces a Noncanonical Catalytic Synthesis of 2'3'-cGAMP.
Resolution	2.13 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:7buj, PDBe:7buj, PDBj:7buj
PDBsum	7buj
PubMed	32814054
UniProt	Q8C6L5\|CGAS_MOUSE Cyclic GMP-AMP synthase (Gene Name=Cgas)

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