Structure of PDB 1b6r Chain A Binding Site BS01

Receptor Information
>1b6r Chain A (length=349) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKQVCVLGNGQLGRMLRQAGEPLGIAVWPVGLDAEPAAVPFQQSVITAEI
ERWPETALTRQLARHPAFVNRDVFPIIADRLTQKQLFDKLHLPTAPWQLL
AERSEWPAVFDRLGELAIVKRRTGQWRLRANETEQLPAECYGECIVEQGI
NFSGEVSLVGARGFDGSTVFYPLTHNLHQDGILRTSVAFPQANAQQQARA
EEMLSAIMQELGYVGVMAMECFVTPQGLLINELAPRVHNSGHWTQNGASI
SQFELHLRAITDLPLPQPVVNNPSVMINLIGSDVNYDWLKLPLVHLHWYD
KEVRPGRKVGHLNLTDSDTSRLTATLEALIPLLPPEYASGVIWAQSKFG
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1b6r Chain A Residue 500 [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]
PDB1b6r Three-dimensional structure of N5-carboxyaminoimidazole ribonucleotide synthetase: a member of the ATP grasp protein superfamily.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R242 H244 N245
Binding residue
(residue number reindexed from 1)		R236 H238 N239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E226 E238 N245 S246 K314
Catalytic site (residue number reindexed from 1) E220 E232 N239 S240 K308
Enzyme Commision number 6.3.4.18: 5-(carboxyamino)imidazole ribonucleotide synthase.
Gene Ontology
Molecular Function
GO:0004638 phosphoribosylaminoimidazole carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0034028 5-(carboxyamino)imidazole ribonucleotide synthase activity
GO:0046872 metal ion binding
Biological Process
GO:0006164 purine nucleotide biosynthetic process
GO:0006189 'de novo' IMP biosynthetic process
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1b6r, PDBe:1b6r, PDBj:1b6r
PDBsum1b6r
PubMed10569930
UniProtP09029|PURK_ECOLI N5-carboxyaminoimidazole ribonucleotide synthase (Gene Name=purK)

[Back to BioLiP]