Structure of PDB 2x0q Chain A Binding Site BS03

Receptor Information
>2x0q Chain A (length=582) Species: 518 (Bordetella bronchiseptica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HPAEIVAHLQPEIWNKVNRLLVRKAISEYAHEWLLEPQRLGPGETPGFER
FRLTLADGAQYDFDAQVMAMRHWRIPPESIVKTVAGVPAPLDALQFVIEI
RDKLGLPVDRLPIYMDEITSTLHGSAYKHGRTTLGAAALARADYQTIETS
MIEGHPSFVANNGRLGFDAEDYHGYAPEAATPVRLMWLAVHKDNAHFSCL
SDMDYDSLMSEELGESAVTDFAARLREQGLHPADYYFMPAHPWQWFNKLS
LAFAPYVAQRKIVCLGYGEEQYLAQQSIRTFFNISRPGKRYVKTSLSILN
MGFMRGLSPYYMAGTPAINEYIHDLISADPWLRANGFRILREVASMGFRN
YYYEAAIDTDTPYKKMFSALWRENPLTLIAPGQNLMTMAALLHVDPQGRA
LLPELIQASGLDAGTWLERYVDAYLTPLIHCFYAHDLVFMPHGENVILVI
QDGVPVRAFMKDIAEESSILNPQVRLPQAAQRLAADVPEAYKLLTIFVDV
FEGYFRHLTQILVETELMPEHDFWRLVAGRIAAYQQAHPQRLDKYRRYDL
FAPDMIHSCLNRLQLANPNLPNPIACFRPSWL
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 chain2x0q Chain A Residue 1609 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x0q Co-Complex Structure of Alcaligin Biosynthesis Protein C (Alcc) with ATP from Bordetella Bronchiseptica
Resolution1.96 Å
Binding residue
(original residue number in PDB)		E451 N452 D469
Binding residue
(residue number reindexed from 1)		E444 N445 D462
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0009058 biosynthetic process
GO:0019290 siderophore biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:2x0q, PDBe:2x0q, PDBj:2x0q
PDBsum2x0q
PubMed
UniProtQ7W557

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