Structure of PDB 3qfk Chain A Binding Site BS02

Receptor Information
>3qfk Chain A (length=510) Species: 93061 (Staphylococcus aureus subsp. aureus NCTC 8325) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNIAFYVVSDVHGYIFPTDFTSRNQYQPMGLLLANHVIEQDRRQYDQSFK
IDNGDFLQGSPFCNYLIAHSGSSQPLVDFYNRMAFDFGTLGNHEFNYGLP
YLKDTLRRLNYPVLCANIYENDSTLTDNGVKYFQVGDQTVGVIGLTTQFI
PHWEQPEHIQSLTFHSAFEILQQYLPEMKRHADIIVVCYHGGFEKDLESG
TPTEVLTGENEGYAMLEAFSKDIDIFITGHQHRQIAERFKQTAVIQPGTR
GTTVGRVVLSTDEYENLSVESCELLPVIDDSTFTIDEDDQHLRKQLEDWL
DYEITTLPYDMTINHAFEARVAPHPFTNFMNYALLEKSDADVACTALFDS
ASGFKQVVTMRDVINNYPFPNTFKVLAVSGAKLKEAIERSAEYFDVKNDE
VSVSADFLEPKPQHFNYDIYGGVSYTIHVGRPKGQRVSNMMIQGHAVDLK
QTYTICVNNYRAVGGGQYDMYIDAPVVKDIQVEGAQLLIDFLSNNNLMRI
PQVVDFKVEK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3qfk Chain A Residue 513 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qfk 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in complex with alpha-ketoglutarate.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D56 N93 H191 H231
Binding residue
(residue number reindexed from 1)		D55 N92 H190 H230
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N93 H94 N97
Catalytic site (residue number reindexed from 1) N92 H93 N96
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0008252 nucleotidase activity
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0046872 metal ion binding
Biological Process
GO:0009166 nucleotide catabolic process
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qfk, PDBe:3qfk, PDBj:3qfk
PDBsum3qfk
PubMed
UniProtQ2G1L5

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