Structure of PDB 3l76 Chain A Binding Site BS02

Receptor Information
>3l76 Chain A (length=585) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALIVQKFGGTSVGTVERIQAVAQRIKRTVQGGNSLVVVVSAMGKSTDVLV
DLAQQISPNPCRREMDMLLSTGEQVSIALLSLALQEIDQPAISLTGAQVG
IVTEILEIRPDRLEHHLREGKVVVVAGFQGIHLEITTLGRGGSDTSAVAL
AAALKADFCEIYTDVPGILTTDPRLVPEAQLMAEITCDEMLELASLGAKV
LHPRAVEIARNYGIPLVVRSSWSDEPGTKVVAPPVQNRSLVGLEIAKAVD
GVEYDADQAKVALLRVPDRPGVASKLFRDIAQQQVDIDLIIQSIHDGNSN
DIAFTVVKDLLNTAEAVTSAIAPALRSYPEADQEAEIIVEKGIAKIAIAG
AGMIGRPGIAAKMFKTLADVGVNIEMISTSEVKVSCVIDQRDADRAIAAL
SNAFGVTLSPPKNQTDLPAVRGVALDQDQAQIAIRHVPDRPGMAAQLFTA
LAEANISVDMIIQSQRCRINQGTPCRDIAFMVAEGDSSQAEAILQPLIKD
WLDAAIVVNKAIAKVSIVGSGMIGHPGVAAHFFAALAQENINIEMIATSE
IKISCVVPQDRGVDALKAAHSAFNLAGTKTVTVPA
Ligand information
Ligand IDTHR
InChIInChI=1S/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)/t2-,3+/m1/s1
InChIKeyAYFVYJQAPQTCCC-GBXIJSLDSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)O
CACTVS 3.341C[CH](O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)O
FormulaC4 H9 N O3
NameTHREONINE
ChEMBLCHEMBL291747
DrugBankDB00156
ZINCZINC000000895103
PDB chain3l76 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l76 A new mode of dimerization of allosteric enzymes with ACT domains revealed by the crystal structure of the aspartate kinase from Cyanobacteria
Resolution2.54 Å
Binding residue
(original residue number in PDB)		N385 I386 R455 M458 Q478
Binding residue
(residue number reindexed from 1)		N373 I374 R440 M443 Q463
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.2.4: aspartate kinase.
Gene Ontology
Molecular Function
GO:0004072 aspartate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009090 homoserine biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l76, PDBe:3l76, PDBj:3l76
PDBsum3l76
PubMed20398676
UniProtP74569

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