Structure of PDB 1gzg Chain B Binding Site BS01

Receptor Information
>1gzg Chain B (length=323) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PANRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESI
PSMPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNP
EGIAQRATRALRERFPELGIITDVALDPFTTHGQNGILDDDGYVLNDVSI
DVLVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRVMAYSA
KYASAYYGPFRDAVGSKATYQMDPANSDEALHEVAADLAEGADMVMVKPG
MPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILESLTA
FKRAGADGILTYFAKQAAEQLRR
Ligand information
Ligand IDLAF
InChIInChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
InChIKeyMBVLGMJBSFUHKW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)O)C(=O)CF
ACDLabs 10.04FCC(=O)CCC(=O)O
CACTVS 3.341OC(=O)CCC(=O)CF
FormulaC5 H7 F O3
Name5-FLUOROLEVULINIC ACID
ChEMBL
DrugBankDB02828
ZINC
PDB chain1gzg Chain B Residue 1338 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1gzg Structure of porphobilinogen synthase from Pseudomonas aeruginosa in complex with 5-fluorolevulinic acid suggests a double Schiff base mechanism.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		S175 K205 R215 K229 Q233
Binding residue
(residue number reindexed from 1)		S171 K201 R211 K217 Q221
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=3.05,IC50=0.9mM
Enzymatic activity
Catalytic site (original residue number in PDB) K205 K260
Catalytic site (residue number reindexed from 1) K201 K248
Enzyme Commision number 4.2.1.24: porphobilinogen synthase.
Gene Ontology
Molecular Function
GO:0004655 porphobilinogen synthase activity
GO:0008270 zinc ion binding
GO:0016829 lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0006779 porphyrin-containing compound biosynthetic process
GO:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
GO:0033014 tetrapyrrole biosynthetic process
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:1gzg, PDBe:1gzg, PDBj:1gzg
PDBsum1gzg
PubMed12079382
UniProtQ59643|HEM2_PSEAE Delta-aminolevulinic acid dehydratase (Gene Name=hemB)

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