Structure of PDB 6lrc Chain A

Receptor sequence
>6lrcA (length=353) Species: 9606 (Homo sapiens) [Search protein sequence]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
TGSYYEHVKISANEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKNPLSQFL
EGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISKIS
VDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKEG
NGFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLL
EQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNC
VTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFP
VFD
3D structure
PDB6lrc In Silico Screening-Based Discovery of Novel Inhibitors of Human Cyclic GMP-AMP Synthase: A Cross-Validation Study of Molecular Docking and Experimental Testing.
ChainA
Resolution1.831 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 KHM A A247 K362 R376 Y436 H437 N482 F488 L490 A86 K195 R209 Y269 H270 N315 F321 L323 MOAD: ic50=2.08uM
BindingDB: Kd=200nM,IC50=4900nM
BS02 ZN A H390 C396 C397 C404 H223 C229 C230 C237
External links
PDB RCSB:6lrc, PDBe:6lrc, PDBj:6lrc
PDBsum6lrc
PubMed32459092
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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