Structure of PDB 1pqp Chain A Binding Site BS01

Receptor Information
>1pqp Chain A (length=357) Species: 71421 (Haemophilus influenzae Rd KW20) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNVGFIGWRGMVGSVLMDRMSQENDFENLNPVFFTTSQALKSAFDIEEL
KKLDIIVTCQGGDYTNEVYPKLKATGWDGYWVDAASALRMKDDAIIVLDP
VNQHVISEGLKKGIKTFVGGNSTVSLMLMAIGGLFEKDLVEWISVATYQA
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 chain1pqp Chain A Residue 2902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pqp The role of substrate-binding groups in the mechanism of aspartate-beta-semialdehyde dehydrogenase.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		R103 N135 S136 K246
Binding residue
(residue number reindexed from 1)		R89 N121 S122 K232
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S136 Q163 R270 H277
Catalytic site (residue number reindexed from 1) S122 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1pqp, PDBe:1pqp, PDBj:1pqp
PDBsum1pqp
PubMed15272161
UniProtP44801|DHAS_HAEIN Aspartate-semialdehyde dehydrogenase (Gene Name=asd)

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