Structure of PDB 3ojo Chain B Binding Site BS01

Receptor Information
>3ojo Chain B (length=418) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKLTVVGLGYIGLPTSIMFAKHGVDVLGVDINQQTIDKLQNGQISIEEPG
LQEVYEEVLSSGKLKVSTTPEASDVFIIAVPTPNNDDQYRSCDISLVMRA
LDSILPFLKKGNTIIVESTIAPKTMDDFVKPVIENLGFTIGEDIYLVHCP
ERVLPGKILEELVHNNRIIGGVTKACIEAGKRVYRTFVQGEMIETDARTA
EMSKLMENTYRDVNIALANELTKICNNLNINVLDVIEMANKHPRVNIHQP
GPGVGGHCLAVDPYFIIAKDPENAKLIQTGREINNSMPAYVVDTTKQIIK
ALSGNKVTVFGLTYKGDVDDIRESPAFDIYELLNQEPDIEVCAYDPHVEL
DFVEHDMSHAVKDASLVLILSDHSEFKNLSDSHFDKMKHKVIFDTKNVVK
SSFEDVLYYNYGNIFNFI
Ligand information
Ligand IDPDC
InChIInChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKeyWJJMNDUMQPNECX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nc(C(=O)O)ccc1
CACTVS 3.341OC(=O)c1cccc(n1)C(O)=O
OpenEye OEToolkits 1.5.0c1cc(nc(c1)C(=O)O)C(=O)O
FormulaC7 H5 N O4
NamePYRIDINE-2,6-DICARBOXYLIC ACID;
DIPICOLINIC ACID
ChEMBLCHEMBL284104
DrugBankDB04267
ZINCZINC000000105246
PDB chain3ojo Chain A Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ojo Structure Analysis of the Staphylococcus aureus UDP-N-acetyl-mannosamine Dehydrogenase Cap5O Involved in Capsular Polysaccharide Biosynthesis.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H242 R244 V245
Binding residue
(residue number reindexed from 1)		H242 R244 V245
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T119 P155 K204 N208 C258 D262
Catalytic site (residue number reindexed from 1) T119 P155 K204 N208 C258 D262
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0051287 NAD binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3ojo, PDBe:3ojo, PDBj:3ojo
PDBsum3ojo
PubMed21454499
UniProtP95708

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