Structure of PDB 3nqb Chain B Binding Site BS02

Receptor Information
>3nqb Chain B (length=587) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEPADLNDDTLRARAVAAARGDQRFDVLITGGTLVDVVTGELRPADIGIV
GALIASVHEPASRRDAAQVIDAGGAYVSPGLIDTHMHIESSMITPAAYAA
AVVARGVTTIVWDPHEFGNVHGVDGVRWAAKAIENLPLRAILLAPSCVPS
APGLERGGADFDAAILADLLSWPEIGGIAEIMNMRGVIERDPRMSGIVQA
GLAAEKLVCGHARGLKNADLNAFMAAGVSSDHELVSGEDLMAKLRAGLTI
ELRGSHDHLLPEFVAALNTLGHLPQTVTLCTDDVFPDDLLQGGGLDDVVR
RLVRYGLKPEWALRAATLNAAQRLGRSDLGLIAAGRRADIVVFEDLNGFS
ARHVLASGRAVAEGGRMLVDIPTCDTTVLKGSMKLPLRMANDFLVKSQGA
KVRLATIDRPRFTQWGETEADVKDGFVVPPEGATMISVTHRHGMAEPTTK
TGFLTGWGRWNGAFATTVSHDSHNLTVFGGNAGDMALAANAVIGTGGGMA
VASEGKVTAILPLPLSGLVSDAPLEEVARAFEDLREAVGKVVEWQPPYLV
FKACFGATLACNIGPHQTDMGIADVLTGKVMESPVIE
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 chain3nqb Chain B Residue 607 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nqb Crystal Structure of Adenine Deaminase from Agrobacterium tumefaciens (str. C 58)
Resolution2.21 Å
Binding residue
(original residue number in PDB)		E187 H218 H239 E240
Binding residue
(residue number reindexed from 1)		E180 H211 H232 E233
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.2: adenine deaminase.
Gene Ontology
Molecular Function
GO:0000034 adenine deaminase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
Biological Process
GO:0006146 adenine catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3nqb, PDBe:3nqb, PDBj:3nqb
PDBsum3nqb
PubMed
UniProtQ7CUX4|ADEC2_AGRFC Adenine deaminase 2 (Gene Name=ade2)

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