Structure of PDB 6q6i Chain A Binding Site BS01

Receptor Information
>6q6i Chain A (length=749) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YKDLKFPVLIVHRDIKADTVAGERVRGIAHELEQDGFSILSTASSAEGRI
VASTHHGLACILVAAEGAGENQRLLQDVVELIRVARVRAPQLPIFALGEQ
VTIENAPAESMADLHQLRGILYLFEDTVPFLARQVARAARNYLAGLLPPF
FRALVEHTAQSNYSWHTPGHGGGVAYRKSPVGQAFHQFFGENTLRSDLSV
SVPELGSLLDHTGPLAEAEDRAARNFGADHTFFVINGTSTANKIVWHSMV
GREDLVLVDRNCHKSILHSIIMTGAIPLYLTPERNELGIIGPIPLSEFSK
ESIAAKIAASPLARGREPKVKLAVVTNSTYDGLCYNAELIKQTLGDSVEV
LHFDEAWYAYAAFHEFYDGRYGMGTSRSEEGPLVFATHSTHKMLAAFSQA
SMIHVQDGGTRKLDVARFNEAFMMHISTSPQYGIIASLDVASAMMEGPAG
RSLIQETFDEALSFRRALANVRQNLDRNDWWFGVWQPEQVEGTDQVGTHD
WVLEPSADWHGFGDIAEDYVLLDPIKVTLTTPGLSAGGKLSEQGIPAAIV
SRFLWERGLVVEKTGLYSFLVLFSMGITKGKWSTLVTELLEFKRCYDANL
PLLDVLPSVAQAGGKRYNGVGLRDLSDAMHASYRDNATAKAMKRMYTVLP
EVAMRPSEAYDKLVRGEVEAVPIARLEGRIAAVMLVPYPPGIPLIMPGER
FTEATRSILDYLEFARTFERAFPGFDSDVHGLQHQDGPSGRCYTVECIK
Ligand information
Ligand IDPLP
InChIInChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain6q6i Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6q6i Cryo-EM structure of Lysine decarboxylase A from Pseudomonas aeruginosa
Resolution3.7 Å
Binding residue
(original residue number in PDB)		T239 S240 H264 D355 A357 W358 H392 K393
Binding residue
(residue number reindexed from 1)		T238 S239 H263 D354 A356 W357 H391 K392
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.18: lysine decarboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008923 lysine decarboxylase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0006520 amino acid metabolic process
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:6q6i, PDBe:6q6i, PDBj:6q6i
PDBsum6q6i
PubMed
UniProtQ9I2S7|LDCA_PSEAE Lysine decarboxylase LdcA (Gene Name=ldcA)

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