Structure of PDB 3lnv Chain A Binding Site BS02

Receptor Information
>3lnv Chain A (length=566) Species: 272624 (Legionella pneumophila subsp. pneumophila str. Philadelphia 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLKKEYLQCQSLVDVVRLRALHSPNKKSCTFLNKELEETMTYEQLDQHAK
AIAATLQAEGAKPGDRVLLLFAPGLPLIQAFLGCLYAGCIAVPIYPPAQE
KLLDKAQRIVTNSKPVIVLMIADHIKKFTPKFLKIPAIALESIELNRSSS
WQPTSIKSNDIAFLQYTSGSTMHPKGVMVSHHNLLDNLNKIFTSFHMNDE
TIIFSWLPPHHDMGLIGCILTPIYGGIQAIMMSPFSFLQNPLSWLKHITK
YKATISGSPNFAYDYCVKRIREEKKEGLDLSSWVTAFNGAEPVREETMEH
FYQAFKEFGFRKEAFYPCYGLAEATLLVTGGTPGSSYKTLTLAKEQFQDH
RVHFADDSPGSYKLVSSGNPIQEVKIIDPDTLIPCDFDQVGEIWVQSNSV
AKGYWNQPEETRHAFAGKIKDDSAIYLRTGDLGFLHENELYVTGRIKDLI
IIYGKNHYPQDIEFSLMHSPLHHVLGKCAAFVIQEEHEYKLTVMCEVKNR
FMDDVAQDNLFNEIFELVYENHQLEVHTIVLIPLKAMPHSGKIRRNFCRK
HLLDLPIVATWQLNKI
Ligand information
Ligand IDPOP
InChIInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
InChIKeyXPPKVPWEQAFLFU-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0OP(=O)([O-])OP(=O)(O)[O-]
FormulaH2 O7 P2
NamePYROPHOSPHATE 2-
ChEMBL
DrugBank
ZINC
PDB chain3lnv Chain A Residue 590 [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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PDB3lnv Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T173 G175 S176 E329
Binding residue
(residue number reindexed from 1)		T167 G169 S170 E323
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N193 H217 A328 I460 K553
Catalytic site (residue number reindexed from 1) N187 H211 A322 I451 K542
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0070566 adenylyltransferase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0008610 lipid biosynthetic process
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lnv, PDBe:3lnv, PDBj:3lnv
PDBsum3lnv
PubMed21185305
UniProtQ5ZTD3

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