Structure of PDB 3l76 Chain B Binding Site BS03

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 IDLYS
InChIInChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChIKeyKDXKERNSBIXSRK-YFKPBYRVSA-O
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCCC[NH3+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCC[NH3+]
OpenEye OEToolkits 1.5.0C(CC[NH3+])C[C@@H](C(=O)O)N
CACTVS 3.341N[C@@H](CCCC[NH3+])C(O)=O
OpenEye OEToolkits 1.5.0C(CC[NH3+])CC(C(=O)O)N
FormulaC6 H15 N2 O2
NameLYSINE
ChEMBL
DrugBank
ZINC
PDB chain3l76 Chain B Residue 603 [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)		D298 I299 D300 M537 H540 V543 S564 I568
Binding residue
(residue number reindexed from 1)		D285 I286 D287 M518 H521 V524 S545 I549
Annotation score2
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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