Structure of PDB 1mxs Chain A Binding Site BS01

Receptor Information
>1mxs Chain A (length=216) Species: 303 (Pseudomonas putida) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSMADKAARIDAICEKARILPVITIAREEDILPLADALAAGGIRTLEVTL
RSQHGLKAIQVLREQRPELCVGAGTVLDRSMFAAVEAAGAQFVVTPGITE
DILEAGVDSEIPLLPGISTPSEIMMGYALGYRRFKLFPAEISGGVAAIKA
FGGPFGDIRFCPTGGVNPANVRNYMALPNVMCVGTTWMLDSSWIKNGDWA
RIEACSAEAIALLDAN
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1mxs Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mxs Structure of 2-keto-3-deoxy-6-phosphogluconate (KDPG) aldolase from Pseudomonas putida.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E57 R61 T85 V104 T105 P106 K145
Binding residue
(residue number reindexed from 1)		E47 R51 T75 V94 T95 P96 K135
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E57 R61 K145
Catalytic site (residue number reindexed from 1) E47 R51 K135
Enzyme Commision number 4.1.2.14: 2-dehydro-3-deoxy-phosphogluconate aldolase.
Gene Ontology
Molecular Function
GO:0008675 2-dehydro-3-deoxy-phosphogluconate aldolase activity
GO:0016829 lyase activity

View graph for
Molecular Function
External links
PDB RCSB:1mxs, PDBe:1mxs, PDBj:1mxs
PDBsum1mxs
PubMed12876349
UniProtP00885|ALKD_PSEPU 2-dehydro-3-deoxy-phosphogluconate aldolase (Gene Name=eda)

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