Structure of PDB 4d56 Chain A Binding Site BS01

Receptor Information
>4d56 Chain A (length=482) Species: 1160 (Planktothrix agardhii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKQSIHQLFETQVERTPEAVAVLSEQGQLTYEELNTKANQLAHYLRTLGV
KSETLVGVCVDRSLEMVIGLLAILKAGGAYVPLDPTYPRERLTYMVQDAQ
ISVLVTQTQWSNLISDYQGQVICLDSQWAKIASYSQENLVNTVNPENLAY
VIYTSGSTGKPKGVMIEHQSLVNFTKLAIAQYQITTSDRTLQFVSISFDV
AAEEIYVTLCSGATLILRTEEMISSIPSFVQKSQDWQITVWSLPTAYWHL
LVNELVKSKIALPDSLRLVIIGGERVQPELVRMWFKNVGNFPELINVYGP
TEGTIAVSLCRLSQLTESQRNRTEIPIGKSLGENISVYVLDETLKTVPPE
TPGEIYIGGTALARGYLNRPELTAQKFIQDPFSPSERLYKTGDLGRYLAD
GNLEYLGRVDHQVKINGFRVELGEIETVLLQHHQVAQAVVIDRRLVAYLV
PHSTEENLTVTLQQFLKNKLPSYMIPATFVVL
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain4d56 Chain A Residue 1491 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4d56 Structural Elucidation of the Bispecificity of a Domains as a Basis for Activating Non-Natural Amino Acids.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D200 V201 E204 G273 G274 V298 G300 I306
Binding residue
(residue number reindexed from 1)		D199 V200 E203 G272 G273 V297 G299 I305
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T155 F175 T302 E303 K415 R420
Catalytic site (residue number reindexed from 1) T154 F174 T301 E302 K414 R419
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0031177 phosphopantetheine binding
GO:0046872 metal ion binding
Biological Process
GO:0043041 amino acid activation for nonribosomal peptide biosynthetic process
GO:0044550 secondary metabolite biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4d56, PDBe:4d56, PDBj:4d56
PDBsum4d56
PubMed26096082
UniProtG0WVH3

[Back to BioLiP]