Structure of PDB 6mpd Chain A Binding Site BS04

Receptor Information
>6mpd Chain A (length=455) Species: 546 (Citrobacter freundii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYPAEPFRIKSVETVSMIPRDERLKKMQEAGYNTFLLNSKDIYIDLLTDS
GTNAMSDKQWAGMMMGDEAYAGSENFYHLERTVQELFGFKHIVPTHQGRG
AENLLSQLAIKPGQYVAGNMYFTTTRYHQEKNGAVFVDIVRDEAHDAGLN
IAFKGDIDLKKLQKLIDEKGAENIAYICLAVTVNLAGGQPVSMANMRAVR
ELTAAHGIKVFYDATRCVENAYFIKEQEQGFENKSIAEIVHEMFSYADGC
TMSGKKDCLVNIGGFLCMNDDEMFSSAKELVVVYEGMPSYGGLAGRDMEA
MAIGLREAMQYEYIEHRVKQVRYLGDKLKAAGVPIVEPVGGHAVFLDARR
FCEHLTQDEFPAQSLAASIYVETGVRSMERGIISAGRNNVTGEHHRPKLE
TVRLTIPRRVYTYAHMDVVADGIIKLYQHKEDIRGLKFIYEPKQLRFFTA
RFDYI
Ligand information
Ligand IDYOF
InChIInChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKeyVIIAUOZUUGXERI-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccc(O)c(F)c1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1CC(C(=O)O)N)F)O
CACTVS 3.341N[C@@H](Cc1ccc(O)c(F)c1)C(O)=O
ACDLabs 10.04Fc1cc(ccc1O)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1cc(c(cc1C[C@@H](C(=O)O)N)F)O
FormulaC9 H10 F N O3
Name3-FLUOROTYROSINE
ChEMBLCHEMBL1236909
DrugBankDB04436
ZINCZINC000000119457
PDB chain6mpd Chain B Residue 1602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6mpd Pressure and Temperature Effects on the Formation of Aminoacrylate Intermediates of Tyrosine Phenol-lyase Demonstrate Reaction Dynamics
Resolution1.79 Å
Binding residue
(original residue number in PDB)		Y71 M288
Binding residue
(residue number reindexed from 1)		Y70 M287
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) Y71 F123 T124 D214 T216 K257 R381 F448
Catalytic site (residue number reindexed from 1) Y70 F122 T123 D213 T215 K256 R380 F447
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6mpd, PDBe:6mpd, PDBj:6mpd
PDBsum6mpd
PubMed
UniProtP31013|TPL_CITFR Tyrosine phenol-lyase (Gene Name=tpl)

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