Structure of PDB 1nx6 Chain A Binding Site BS01

Receptor Information
>1nx6 Chain A (length=357) Species: 727 (Haemophilus influenzae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNVGFIGWRGMVGSVLMDRMSQENDFENLNPVFFTTSQALKSAFDIEEL
KKLDIIVTCQGGDYTNEVYPKLKATGWDGYWVDAASALRMKDDAIIVLDP
VNQHVISEGLKKGIKTFVGGNCTVSLMLMAIGGLFEKDLVEWISVATYQA
ASGAGAKNMRELLSQMGLLEQAVSSELKDPASSILDIERKVTAKMRADNF
PTDNFGAALGGSLIPWIDKLLPETGQTKEEWKGYAETNKILGLSDNPIPV
DGLCVRIGALRCHSQAFTIKLKKDLPLEEIEQIIASHNEWVKVIPNDKEI
TLRELTPAKVTGTLSVPVGRLRKLAMGPEYLAAFTVGDQLLWGAAEPVRR
ILKQLVA
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1nx6 Chain A Residue 372 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nx6 Capture of an Intermediate in the Catalytic Cycle of L-Aspartate-beta-Semialdehyde Dehydrogenase
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R103 N135 X136 K246
Binding residue
(residue number reindexed from 1)		R89 N121 X122 K232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C136 Q163 R270 H277
Catalytic site (residue number reindexed from 1) C122 Q149 R256 H263
Enzyme Commision number 1.2.1.11: aspartate-semialdehyde dehydrogenase.
Gene Ontology
Molecular Function
GO:0004073 aspartate-semialdehyde dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016620 oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
GO:0046983 protein dimerization activity
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0008652 amino acid biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0009086 methionine biosynthetic process
GO:0009088 threonine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0009097 isoleucine biosynthetic process
GO:0019877 diaminopimelate biosynthetic process
GO:0071266 'de novo' L-methionine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1nx6, PDBe:1nx6, PDBj:1nx6
PDBsum1nx6
PubMed14559965
UniProtP44801|DHAS_HAEIN Aspartate-semialdehyde dehydrogenase (Gene Name=asd)

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