Structure of PDB 1gzg Chain B Binding Site BS02

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 1337 [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)		Y211 F214 K260 Y283 V285 S286 Y324
Binding residue
(residue number reindexed from 1)		Y207 F210 K248 Y271 V273 S274 Y312
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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