Structure of PDB 2o7e Chain B Binding Site BS01

Receptor Information
>2o7e Chain B (length=515) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPAVELDRHIDLDQAHAVASGGARIVLAPPARDRCRASEARLGAVIREA
RHVYGLTTGFGPLANRLISGENVRTLQANLVHFLASGVGPVLDWTTARAM
VLARLVSIAQGASGASEGTIARLIDLLNSELAPAVPSRGTVGGDLTPLAH
MVLCLQGRGDFLDRDGTRLDGAEGLRRGRLQPLDLSHRDALALVNGTSAM
TGIALVNAHACRHLGNWAVALTALLAECLRGRTEAWAAALSDLRPHPGQK
DAAARLRARVDGSARVVRHVIAERRLDAGDIGTEPEAGQDAYSLRCAPQV
LGAGFDTLAWHDRVLTIELNAVTDNPVFPPDGSVPALHGGNFMGQHVALT
SDALATAVTVLAGLAERQIARLTDERLNRGLPPFLHRGPAGLNSGFMGAQ
VTATALLAEMRATGPASIHSISTNAANQDVVSLGTIAARLCREKIDRWAE
ILAILALCLAQAAELRCGSGLDGVSPAGKKLVQALREQFPPLETDRPLGQ
EIAALATHLLQQSPV
Ligand information
Ligand IDPMI
InChIInChI=1S/C9H12NO3P/c10-9(14(11,12)13)5-7-3-1-2-4-8(7)6-9/h1-4H,5-6,10H2,(H2,11,12,13)
InChIKeyYJFRDRWPYDVEIH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1(Cc2ccccc2C1)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C2(N)Cc1ccccc1C2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)CC(C2)(N)P(=O)(O)O
FormulaC9 H12 N O3 P
Name(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-YL)PHOSPHONIC ACID;
2-AMINOINDAN-2-PHOSPHONIC ACID
ChEMBL
DrugBank
ZINCZINC000013525586
PDB chain2o7e Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2o7e Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y60 X149 L153 N203 F350
Binding residue
(residue number reindexed from 1)		Y54 X143 L145 N195 F342
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.22,Ki=0.6uM
Enzymatic activity
Catalytic site (original residue number in PDB) Y60 G67 L90 N203 Y300 R303 F350 Q436
Catalytic site (residue number reindexed from 1) Y54 G61 L84 N195 Y292 R295 F342 Q428
Enzyme Commision number 4.3.1.23: tyrosine ammonia-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016841 ammonia-lyase activity
GO:0042802 identical protein binding
GO:0052883 tyrosine ammonia-lyase activity
Biological Process
GO:0006572 tyrosine catabolic process
GO:0009698 phenylpropanoid metabolic process
GO:0009699 phenylpropanoid biosynthetic process
GO:0044550 secondary metabolite biosynthetic process
GO:0051289 protein homotetramerization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2o7e, PDBe:2o7e, PDBj:2o7e
PDBsum2o7e
PubMed17185228
UniProtQ3IWB0|TALY_CERS4 Tyrosine ammonia-lyase (Gene Name=hutH)

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