Structure of PDB 3l76 Chain B Binding Site BS02

Receptor Information
>3l76 Chain B (length=581) 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
IVTELEIRPDRLEHHLREGKVVVVAGFQGISEHLEITTLGRGGSDTSAVA
LAAALKADFCEIYTDVPGILTTDPRLVPEAQLMAEITCDEMLELASLGAK
VLHPRAVEIARNYGIPLVVRSSWSDEPGTKVVAPPVRSLVGLEIAKAVDG
VEYDADQAKVALLRVPDRPGVASKLFRDIAQQQVDIDLIIQSIHDGNSND
IAFTVVKDLLNTAEAVTSAIAPALRSYPEADQEAEIIVEKGIAKIAIAGA
GMIGRPGIAAKMFKTLADVGVNIEMISTSEVKVSCVIDQRDADRAIAALS
NAFGVTLSPPKNLPAVRGVALDQDQAQIAIRHVPDRPGMAAQLFTALAEA
NISVDMIIQSQRCRINQGTPCRDIAFMVAEGDSSQAEAILQPLIKDWLDA
AIVVNKAIAKVSIVGSGMIGHPGVAAHFFAALAQENINIEMIATSEIKIS
CVVPQDRGVDALKAAHSAFNLAGTKTVTVPA
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 B Residue 602 [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]
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)		R281 V284 A285 Q304 N557 I558
Binding residue
(residue number reindexed from 1)		R268 V271 A272 Q291 N538 I539
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

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

[Back to BioLiP]