Structure of PDB 2wdf Chain A Binding Site BS01

Receptor Information
>2wdf Chain A (length=544) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLYDLPPYGDATLLYFSDLHGQAFPHYFMEPPNLIAPKPLMGRPGYLTGE
AILRYYGVERGTPLAYLLSYVDFVELARTFGPIGGMGALTALIRDQKARV
EAEGGKALVLDGGDTWTNSGLSLLTRGEAVVRWQNLVGVDHMVSHWEWTL
GRERVEELLGLFRGEFLSYNIVDDLFGDPLFPAYRIHRVGPYALAVVGAS
YPYVKVSHPESFTEGLSFALDERRLQEAVDKARAEGANAVVLLSHNGMQL
DAALAERIRGIDLILSGHTHDLTPRPWRVGKTWIVAGSAAGKALMRVDLK
LWKGGIANLRVRVLPVLAEHLPKAEDVEAFLKAQLAPHQDHLFTPLAVSE
TLLYKRDTLYSTWDQLVGEAVKAIYPEVEVVFSPAVRWGTTILPGQAITW
DHLYAYTGFTYPELYLFYLRGAQIKAVLEDIASNVFTSDPFYQQGGDVSR
VFGLRYVLDPDAPTGERVREVEVGGRPLDPNRRYLAAAYGGRLQRVGEAK
PGYEPRPIYEVLAEYLRSVGRVRVRPEPNVKVIGRNYRLPEVTG
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 chain2wdf Chain A Residue 1575 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wdf Mechanism for the Hydrolysis of a Sulfur-Sulfur Bond Based on the Crystal Structure of the Thiosulfohydrolase Soxb.
Resolution2.08 Å
Binding residue
(original residue number in PDB)		D47 H49 D143 H299
Binding residue
(residue number reindexed from 1)		D18 H20 D114 H270
Annotation score4
Enzymatic activity
Enzyme Commision number 3.12.2.1
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016787 hydrolase activity
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:2wdf, PDBe:2wdf, PDBj:2wdf
PDBsum2wdf
PubMed19535341
UniProtQ72IT0

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