Structure of PDB 7fti Chain A Binding Site BS02

Receptor Information
>7fti Chain A (length=354) 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
PKHAQEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYL
LEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDN
CVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKEFLTKQIEYERNNEF
PVFD
Ligand information
Ligand IDYMI
InChIInChI=1S/C11H9FN2O2/c1-14-10(11(15)16)6-9(13-14)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,15,16)
InChIKeyBHZCZCULAVSPQF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1nc(cc1C(O)=O)c2ccc(F)cc2
OpenEye OEToolkits 2.0.7Cn1c(cc(n1)c2ccc(cc2)F)C(=O)O
ACDLabs 12.01Cn1nc(cc1C(=O)O)c1ccc(F)cc1
FormulaC11 H9 F N2 O2
Name3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxylic acid
ChEMBL
DrugBank
ZINC
PDB chain7fti 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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PDB7fti Crystal Structure of a human cyclic GMP-AMP synthase complex
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A247 R376 S434 Y436 H437 N482 F488
Binding residue
(residue number reindexed from 1)		A87 R210 S268 Y270 H271 N316 F322
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:7fti, PDBe:7fti, PDBj:7fti
PDBsum7fti
PubMed
UniProtQ8N884|CGAS_HUMAN Cyclic GMP-AMP synthase (Gene Name=CGAS)

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