Structure of PDB 2q6i Chain A Binding Site BS02

Receptor Information
>2q6i Chain A (length=266) Species: 369723 (Salinispora tropica CNB-440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQHNLIAFLSDVGSADEAHALCKGVMYGVAPAATIVDITHDVAPFDVREG
ALFLADVPHSFPAHTVICAYVYPETGTATHTIAVRNEKGQLLVGPNNGLL
SFALDASPAVECHEVLSPDVMNQPVTPTWYGKDIVAACAAHLAAGTDLAA
VGPRIDPKQIVRLPYASASEVEGGIRGEVVRIDRAFGNVWTNIPTHLIGS
MRLEVKIEALSDTVLELPFCKTFGEVDEGQPLLYLNSRGRLALGLNQSNF
IEKWPVVPGDSITVSP
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain2q6i Chain A Residue 600 [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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PDB2q6i Discovery and characterization of a marine bacterial SAM-dependent chlorinase
Resolution2.6 Å
Binding residue
(original residue number in PDB)
T128 W129
Binding residue
(residue number reindexed from 1)
T128 W129
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.94: adenosyl-chloride synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups

View graph for
Molecular Function
External links
PDB RCSB:2q6i, PDBe:2q6i, PDBj:2q6i
PDBsum2q6i
PubMed18059261
UniProtA4X3Q0|SALL_SALTO Adenosyl-chloride synthase (Gene Name=salL)

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