Structure of PDB 2o7d Chain A Binding Site BS01

Receptor Information
>2o7d Chain A (length=515) Species: 1063 (Cereibacter sphaeroides) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKPAVELDRHIDLDQAHAVASGGARIVLAPPARDRCRASEARLGAVIREA
RHVYGLTTGFGPLANRLISGENVRTLQANLVHHLASGVGPVLDWTTARAM
VLARLVSIAQGASGASEGTIARLIDLLNSELAPAVPSRGTVGGDLTPLAH
MVLCLQGRGDFLDRDGTRLDGAEGLRRGRLQPLDLSHRDALALVNGTSAM
TGIALVNAHACRHLGNWAVALTALLAECLRGRTEAWAAALSDLRPHPGQK
DAAARLRARVDGSARVVRHVIAERRLDAGDIGTEPEAGQDAYSLRCAPQV
LGAGFDTLAWHDRVLTIELNAVTDNPVFPPDGSVPALHGGNFMGQHVALT
SDALATAVTVLAGLAERQIARLTDERLNRGLPPFLHRGPAGLNSGFMGAQ
VTATALLAEMRATGPASIHSISTNAANQDVVSLGTIAARLCREKIDRWAE
ILAILALCLAQAAELRCGSGLDGVSPAGKKLVQALREQFPPLETDRPLGQ
EIAALATHLLQQSPV
Ligand information
Ligand IDDHC
InChIInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
InChIKeyQAIPRVGONGVQAS-DUXPYHPUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(c(cc1C=CC(=O)O)O)O
ACDLabs 10.04O=C(O)\C=C\c1cc(O)c(O)cc1
CACTVS 3.341OC(=O)C=Cc1ccc(O)c(O)c1
OpenEye OEToolkits 1.5.0c1cc(c(cc1\C=C\C(=O)O)O)O
CACTVS 3.341OC(=O)\C=C\c1ccc(O)c(O)c1
FormulaC9 H8 O4
NameCAFFEIC ACID;
3,4-DIHYDROXYCINNAMIC ACID
ChEMBLCHEMBL145
DrugBankDB01880
ZINCZINC000000058172
PDB chain2o7d Chain A Residue 701 [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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PDB2o7d Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G67 H89 L90 N432 N435 Q436
Binding residue
(residue number reindexed from 1)		G61 H83 L84 N424 N427 Q428
Annotation score2
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:2o7d, PDBe:2o7d, PDBj:2o7d
PDBsum2o7d
PubMed17185228
UniProtQ3IWB0|TALY_CERS4 Tyrosine ammonia-lyase (Gene Name=hutH)

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