Structure of PDB 7fjk Chain C Binding Site BS01

Receptor Information
>7fjk Chain C (length=456) Species: 549 (Pantoea agglomerans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNYPAEPFRIKSVETVSMISRDERVKKMQEAGYNTFLLNSKDIYIDLLTD
SGTNAMSDKQWAGMMIGDEAYAGSENFYHLEKTVKELFGFKHIVPTHQGR
GAENLLSQLAIKPGQYVAGNMYFTTTRFHQEKNGATFVDIVRDEAHDASL
NLPFKGDIDLNKLATLIKEKGAENIAYICLAVTVNLAGGQPVSMANMRAV
HEMASTYGIKIFYDATRCVENAYFIKEQEAGYENVSIKDIVHEMFSYADG
CTMSGKKDCLVNIGGFLCMNDEEMFSAAKELVVVYEGMPSYGGLAGRDME
AMAIGLREAMQYEYIEHRVKQVRYLGDKLREAGVPIVEPTGGHAVFLDAR
RFCPHLTQDQFPAQSLAASIYMETGVRSMERGIVSAGRSKETGENHRPKL
ETVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLTFVYEPKQLRFFT
ARFDFI
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 chain7fjk Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7fjk Faecal microbiota-dependent phenol production from tyrosine
Resolution1.3 Å
Binding residue
(original residue number in PDB)		Q98 G99 R100 F123 D214 T216 R217 S254 K257
Binding residue
(residue number reindexed from 1)		Q98 G99 R100 F123 D214 T216 R217 S254 K257
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.99.2: tyrosine phenol-lyase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0016830 carbon-carbon lyase activity
GO:0050371 tyrosine phenol-lyase activity
Biological Process
GO:0006520 amino acid metabolic process
GO:0006570 tyrosine metabolic process
GO:0009072 aromatic 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:7fjk, PDBe:7fjk, PDBj:7fjk
PDBsum7fjk
PubMed
UniProtP31011|TPL_ENTAG Tyrosine phenol-lyase (Gene Name=tpl)

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