Structure of PDB 5vkw Chain B Binding Site BS02

Receptor Information
>5vkw Chain B (length=469) Species: 237561 (Candida albicans SC5314) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSEYDKYSTPLSSRYASEEMSKIFSLRNRFSTWRKLWLNLAIAEKEVGLS
VITDEAIEQMKQHLEITDKEIQDAAVEEAKVRHDVMAHVHVFGETCPSAA
GIIHLGATSCFVTDNADLIFLRDAYDVLIPKLVNVIDRLSKFALEYKDLP
VLGWTHFQPAQLTTVGKRATLWLQELLWDLRNMVRARNDIGLRGVKGTTG
TQASFLSLFHGDHDKVEELDKRVVELLGFDIVYPVTGQTYSRKIDIDVLS
PLASFGATAHKFATDIRLLANLKEIEEPFEKMAYKRNPMRCERVCSLARH
LGGLFNDAVQTASVQWFERTLDDSAIRRISLPSAFLTVDILLSTMLNITS
GLVVYPKVIERRINSELPFMATENIIMAMVEKGGSRQDCHEEIRVLSHQA
SAVVKQEGGDNDLIERIKSTEYFKPIWNDLDTLLDPKTFVGRAPQQTEKF
VKNDVANALKPFEKYITTE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5vkw Chain B Residue 510 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5vkw Crystal structure of adenylosuccinate lyase ADE13 from Candida albicans
Resolution1.998 Å
Binding residue
(original residue number in PDB)		N435 D438
Binding residue
(residue number reindexed from 1)		N428 D431
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H83 T155 H156 K292 E299
Catalytic site (residue number reindexed from 1) H83 T155 H156 K285 E292
Enzyme Commision number 4.3.2.2: adenylosuccinate lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004018 N6-(1,2-dicarboxyethyl)AMP AMP-lyase (fumarate-forming) activity
GO:0016829 lyase activity
GO:0046872 metal ion binding
GO:0070626 (S)-2-(5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamido) succinate lyase (fumarate-forming) activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
GO:0009152 purine ribonucleotide biosynthetic process
GO:0009168 purine ribonucleoside monophosphate biosynthetic process
GO:0044208 'de novo' AMP biosynthetic process
Cellular Component
GO:0005575 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:5vkw, PDBe:5vkw, PDBj:5vkw
PDBsum5vkw
PubMed
UniProtA0A1D8PT56

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