Structure of PDB 3kgd Chain A Binding Site BS02

Receptor Information
>3kgd Chain A (length=336) Species: 511145 (Escherichia coli str. K-12 substr. MG1655) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMIALDGAQGEGGGQILRSALSLSMITGQPFTITSIRAGRAKPGLLRQHL
TAVKAATEICGATVEGAELGSQRLLFRPGTVRGGDYRFAIGSAGSCTLVL
QTVLPALWFADGPSRVEVSGGTDNPSAPPADFIRRVLEPLLAKIGIHQQT
TLLRHGFYPAGGGVVATEVSPVASFNTLQLGERGNIVQMRGEVLLAGVPR
HVAEREIATLAGSFSLHEQNIHNLPRDQGPGNTVSLEVESENITERFFVV
GEKRVSAEVVAAQLVKEVKRYLASTAAVGEYLADQLVLPMALAGAGEFTV
AHPSCHLLTNIAVVERFLPVRFSLIETDGVTRVSIE
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain3kgd Chain A Residue 343 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kgd Structure of the RNA 3'-phosphate cyclase-adenylate intermediate illuminates nucleotide specificity and covalent nucleotidyl transfer.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		E14 R43
Binding residue
(residue number reindexed from 1)		E11 R40
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E14 H309
Catalytic site (residue number reindexed from 1) E11 H306
Enzyme Commision number 6.5.1.4: RNA 3'-terminal-phosphate cyclase (ATP).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003963 RNA-3'-phosphate cyclase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
Biological Process
GO:0006396 RNA processing
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3kgd, PDBe:3kgd, PDBj:3kgd
PDBsum3kgd
PubMed20399182
UniProtP46849|RTCA_ECOLI RNA 3'-terminal phosphate cyclase (Gene Name=rtcA)

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