Structure of PDB 7ftm Chain A Binding Site BS01

Receptor Information
>7ftm Chain A (length=356) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLN
TGSYYEHVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFKRNPKEN
PLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTL
LISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLV
PKHAFQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKY
LLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFD
NCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNE
FPVFDE
Ligand information
Ligand IDYO6
InChIInChI=1S/C11H9FN2O2S/c12-7-1-3-8(4-2-7)13-11-14-9(6-17-11)5-10(15)16/h1-4,6H,5H2,(H,13,14)(H,15,16)
InChIKeyDKMOQDZYPOFTDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(ccc1Nc2nc(cs2)CC(=O)O)F
CACTVS 3.385OC(=O)Cc1csc(Nc2ccc(F)cc2)n1
ACDLabs 12.01O=C(O)Cc1csc(Nc2ccc(F)cc2)n1
FormulaC11 H9 F N2 O2 S
Name[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetic acid
ChEMBL
DrugBank
ZINC
PDB chain7ftm Chain A Residue 601 [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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PDB7ftm Crystal Structure of a human cyclic GMP-AMP synthase complex
Resolution1.698 Å
Binding residue
(original residue number in PDB)		R376 Y436 N482 F488
Binding residue
(residue number reindexed from 1)		R211 Y271 N317 F323
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7ftm, PDBe:7ftm, PDBj:7ftm
PDBsum7ftm
PubMed
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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