Structure of PDB 6nfg Chain A

Receptor sequence
>6nfgA (length=348) Species: 9606 (Homo sapiens) [Search protein sequence]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
TGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKPLSQFL
EGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRAVTLLISEKISVDI
TLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEFQEE
TWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKER
FKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQ
CLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDE
3D structure
PDB6nfg Discovery of a high affinity inhibitor of cGAS
ChainA
Resolution2.76 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 ZN A H390 C397 C404 H217 C224 C231
BS02 KKP A R376 S434 Y436 N482 F488 R203 S261 Y263 N309 F315 PDBbind-CN: -logKd/Ki=4.11,Kd=78uM
BindingDB: IC50=69000nM,Kd=78000nM
External links
PDB RCSB:6nfg, PDBe:6nfg, PDBj:6nfg
PDBsum6nfg
PubMed
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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