Structure of PDB 1gjp Chain A Binding Site BS01

Receptor Information
>1gjp Chain A (length=340) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHTAEFLETEPTEISSVLAGGYNHPLLRQWQSERQLTKNMLIFPLFISDN
PDDFTEIDSLPNINRIGVNRLKDYLKPLVAKGLRSVILFGVPLIPGTKDP
VGTAADDPAGPVIQGIKFIREYFPELYIICDVCLCEYTSHGHCGVLYDDG
TINRERSVSRLAAVAVNYAKAGAHCVAPSDMIDGRIRDIKRGLINANLAH
KTFVLSYAAKFSGNLYGPFRDAACSAPSNGDRKCYQLPPAGRGLARRALE
RDMSEGADGIIVKPSTFYLDIMRDASEICKDLPICAYHVSGEYAMLHAAA
EKGVVDLKTIAFESHQGFLRAGARLIITYLAPEFLDWLDE
Ligand information
Ligand ID4OX
InChIInChI=1S/C10H16O5/c11-8(6-7-10(14)15)4-2-1-3-5-9(12)13/h1-7H2,(H,12,13)(H,14,15)
InChIKeyXTQIBFVBYWIHIP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCC(=O)CCCCCC(=O)O
CACTVS 3.341OC(=O)CCCCCC(=O)CCC(O)=O
OpenEye OEToolkits 1.5.0C(CCC(=O)CCC(=O)O)CCC(=O)O
FormulaC10 H16 O5
Name4-OXODECANEDIOIC ACID;
4-OXOSEBACIC ACID
ChEMBL
DrugBankDB02260
ZINCZINC000003074811
PDB chain1gjp Chain A Residue 363 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1gjp The X-Ray Structure of Yeast 5-Aminolaevulinic Acid Dehydratase Complexed with Two Diacid Inhibitors
Resolution1.8 Å
Binding residue
(original residue number in PDB)		S179 Y207 K210 F219 K263 Y287 S290 Y329
Binding residue
(residue number reindexed from 1)		S179 Y207 K210 F219 K263 Y287 S290 Y329
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) K210 K263
Catalytic site (residue number reindexed from 1) K210 K263
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:0006782 protoporphyrinogen IX biosynthetic process
GO:0006783 heme biosynthetic process
GO:0033014 tetrapyrrole biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1gjp, PDBe:1gjp, PDBj:1gjp
PDBsum1gjp
PubMed11513881
UniProtP05373|HEM2_YEAST Delta-aminolevulinic acid dehydratase (Gene Name=HEM2)

[Back to BioLiP]