Structure of PDB 1tb4 Chain A Binding Site BS01

Receptor Information
>1tb4 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 IDPEJ
InChIInChI=1S/HIO4/c2-1(3,4)5/h(H,2,3,4,5)/p-1
InChIKeyKHIWWQKSHDUIBK-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 2.0.7		[O-]I(=O)(=O)=O
CACTVS 3.385[O-][I](=O)(=O)=O
FormulaI O4
NamePERIODATE
ChEMBL
DrugBank
ZINC
PDB chain1tb4 Chain A Residue 373 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tb4 Structural basis for discrimination between oxyanion substrates or inhibitors in aspartate-beta-semialdehyde dehydrogenase.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		R102 N134 K244
Binding residue
(residue number reindexed from 1)		R89 N121 K232
Annotation score1
Binding affinityMOAD: Ki=0.2mM
Enzymatic activity
Catalytic site (original residue number in PDB) C135 Q162 R267 H274
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:1tb4, PDBe:1tb4, PDBj:1tb4
PDBsum1tb4
PubMed15583380
UniProtP44801|DHAS_HAEIN Aspartate-semialdehyde dehydrogenase (Gene Name=asd)

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