Structure of PDB 1b4k Chain A Binding Site BS01

Receptor Information
>1b4k Chain A (length=326) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRESIPSMPG
VERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAYNPEGIAQ
RATRALRERFPELGIITDVALDPFTTHGQDGILDDDGYVLNDVSIDVLVR
QALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRIMAYSAKYASA
YYGPFRDAVGSASNLGKGNKATYQMDPANSDEALHEVAADLAEGADMVMV
KPGMPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILES
LTAFKRAGADGILTYFAKQAAEQLRR
Ligand information
Ligand IDSHF
InChIInChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKeyJOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)CCC(=O)O
CACTVS 3.370CC(=O)CCC(O)=O
ACDLabs 12.01O=C(C)CCC(=O)O
FormulaC5 H8 O3
NameLAEVULINIC ACID;
LEVULINIC ACID
ChEMBLCHEMBL1235931
DrugBankDB02239
ZINCZINC000000586584
PDB chain1b4k Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1b4k High resolution crystal structure of a Mg2+-dependent porphobilinogen synthase.
Resolution1.67 Å
Binding residue
(original residue number in PDB)		K205 Y211 F214 K260 Y283 V285 S286 Y324
Binding residue
(residue number reindexed from 1)		K196 Y202 F205 K251 Y274 V276 S277 Y315
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) K205 K260
Catalytic site (residue number reindexed from 1) K196 K251
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:1b4k, PDBe:1b4k, PDBj:1b4k
PDBsum1b4k
PubMed10356331
UniProtQ59643|HEM2_PSEAE Delta-aminolevulinic acid dehydratase (Gene Name=hemB)

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