Structure of PDB 7ftl Chain A Binding Site BS02

Receptor Information
>7ftl Chain A (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNT
GSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKKENPLSQ
FLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISE
KISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHA
KQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQ
LKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVT
YFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEFPVF
D
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 chain7ftl 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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PDB7ftl Crystal Structure of a human cyclic GMP-AMP synthase complex
Resolution2.2 Å
Binding residue
(original residue number in PDB)		A247 R376 S378 S380 Y436 N482 F488
Binding residue
(residue number reindexed from 1)		A86 R207 S209 S211 Y267 N313 F319
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7ftl, PDBe:7ftl, PDBj:7ftl
PDBsum7ftl
PubMed
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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