Structure of PDB 3m0x Chain A Binding Site BS03

Receptor Information
>3m0x Chain A (length=421) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FRIAQDVVARENDRRASALKEDYEALGANLARRGVDIEAVTAKVEKFFVA
VPSWGVGTGGTRFARFPGTGEPRGIFDKLDDCAVIQQLTRATPNVSLHIP
WDKADPKELKARGDALGLGFDAMNSNTFSDAPGQAHSYKYGSLSHTNAAT
RAQAVEHNLECIEIGKAIGSKALTVWIGDGSNFPGQSNFTRAFERYLSAM
AEIYKGLPDDWKLFSEHKMYEPAFYSTVVQDWGTNYLIAQTLGPKAQCLV
DLGHHAPNTNIEMIVARLIQFGKLGGFHFNDSKYGDDDLDAGAIEPYRLF
LVFNELVDAEARGVKGFHPAHMIDQLHNVTDPIESLINSANEIRRAYAQA
LLVDRAALSGYQEDNDALMATETLKRAYRTDVEPILAEARRRTGGAVDPV
ATYRASGYRARVAAERPASVA
Ligand information
Ligand IDPSJ
InChIInChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2/t3-,5-,6+/m1/s1
InChIKeyBJHIKXHVCXFQLS-PUFIMZNGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O
CACTVS 3.352OC[C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO
ACDLabs 11.02O=C(C(O)C(O)C(O)CO)CO
OpenEye OEToolkits 1.7.0C(C(C(C(C(=O)CO)O)O)O)O
CACTVS 3.352OC[CH](O)[CH](O)[CH](O)C(=O)CO
FormulaC6 H12 O6
NameD-psicose
ChEMBLCHEMBL1235460
DrugBankDB15087
ZINCZINC000005132035
PDB chain3m0x Chain A Residue 601 [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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PDB3m0x Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase
Resolution1.79 Å
Binding residue
(original residue number in PDB)		W57 W179 E219 K221 H257 H281 D327
Binding residue
(residue number reindexed from 1)		W54 W176 E216 K218 H254 H278 D324
Annotation score2
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:3m0x, PDBe:3m0x, PDBj:3m0x
PDBsum3m0x
PubMed20977999
UniProtQ75WH8

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