Structure of PDB 4kb6 Chain A Binding Site BS03

Receptor Information
>4kb6 Chain A (length=353) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAWKLQTVLEKVRLSRHEISEAAEVVNWVVEHLLRRLQGGESEFKGVALL
RTGSYYERVKISAPNQFNVMFKLEVPRIQLEEYCNSGAHYFVKFPLEQFL
EKEILSASKMLSKFRKIIKEEIKNIEDTGVTVERKRRGSPAVTLLISKPK
EISVDIILALESKSSWPASTQKGLPISQWLGAKVKNNLKRQPFYLVPKHA
KGFQEETWRLSFSHIEKDILKNHGQSKTCCEIDGVKCCRKECLKLMKYLL
EQLKKKFGNRRELAKFCSYHVKTAFFHVCTQDPHDNQWHLKNLECCFDNC
VAYFLQCLKTEQLANYFIPGVNLFSRDLIDKPSKEFLSKQIEYERNNGFP
VFW
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4kb6 Chain A Residue 501 [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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PDB4kb6 Structural mechanism of cytosolic DNA sensing by cGAS.
Resolution3.0754 Å
Binding residue
(original residue number in PDB)		H367 C374 C381
Binding residue
(residue number reindexed from 1)		H223 C230 C237
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.86: cyclic GMP-AMP synthase.
External links
PDB RCSB:4kb6, PDBe:4kb6, PDBj:4kb6
PDBsum4kb6
PubMed23722159
UniProtI3LM39|CGAS_PIG Cyclic GMP-AMP synthase (Gene Name=CGAS)

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