Structure of PDB 7fu3 Chain A Binding Site BS02

Receptor Information
>7fu3 Chain A (length=349) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
TGSYHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKNPLSQFLE
GEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKIS
VDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAKQE
ETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKE
RFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFL
QCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVFDE
Ligand information
Ligand IDYME
InChIInChI=1S/C16H10ClNO3/c17-12-6-3-5-9-11(16(20)21)8-13(18-15(9)12)10-4-1-2-7-14(10)19/h1-8,19H,(H,20,21)
InChIKeyKVFZPSDQSZKXFB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cc(nc2c(Cl)cccc12)c1ccccc1O
OpenEye OEToolkits 2.0.7c1ccc(c(c1)c2cc(c3cccc(c3n2)Cl)C(=O)O)O
CACTVS 3.385OC(=O)c1cc(nc2c(Cl)cccc12)c3ccccc3O
FormulaC16 H10 Cl N O3
Name(2P)-8-chloro-2-(2-hydroxyphenyl)quinoline-4-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7fu3 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fu3 Crystal Structure of a human cyclic GMP-AMP synthase complex
Resolution1.822 Å
Binding residue
(original residue number in PDB)		A247 R376 S378 Y436 N482 F488 L490
Binding residue
(residue number reindexed from 1)		A85 R204 S206 Y264 N310 F316 L318
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7fu3, PDBe:7fu3, PDBj:7fu3
PDBsum7fu3
PubMed
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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