Structure of PDB 3ito Chain C Binding Site BS02

Receptor Information
>3ito Chain C (length=428) 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
VATYRASGYRARVAAERPASVAGGGGII
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 C Residue 506 [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)		D254 H257 D289
Binding residue
(residue number reindexed from 1)		D252 H255 D287
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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