Structure of PDB 3ito Chain D Binding Site BS01

Receptor Information
>3ito Chain D (length=419) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFRIAQDVVARENDRRASALKEDYEALGANLARRGVDIEAVTAKVEKFFV
AVPSWGVGTGGTRFARFPGTGEPRGIFDKLDDCAVIQQLTRATPNVSLHI
PWDKADPKELKARGDALGLGFDAMNSNTFSDAPGQAHSYKYGSLSHTNAA
TRAQAVEHNLECIEIGKAIGSKALTVWIGDGSNFPGQSNFTRAFERYLSA
MAEIYKGLPDDWKLFSEHKMYEPAFYSTVVQDWGTNYLIAQTLGPKAQCL
VDLGHHAPNTNIEMIVARLIQFGKLGGFHFNDSKYGDDDLDAGAIEPYRL
FLVFNELVDAEARGVKGFHPAHMINQSHNVTDPIESLINSANEIRRAYAQ
ALLVDRAALSGYQEDNDALMATETLKRAYRTDVEPILAEARRRTGGAVDP
VATYRASGYRARVAAERPA
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 chain3ito Chain D Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ito Catalytic reaction mechanism of Pseudomonas stutzeri l-rhamnose isomerase deduced from X-ray structures
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E219 D254 H257 H281 N327
Binding residue
(residue number reindexed from 1)		E217 D252 H255 H279 N325
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.14: L-rhamnose isomerase.
Gene Ontology
Molecular Function
GO:0016853 isomerase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3ito, PDBe:3ito, PDBj:3ito
PDBsum3ito
PubMed20088877
UniProtQ75WH8

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