Structure of PDB 4f2d Chain B Binding Site BS03

Receptor Information
>4f2d Chain B (length=498) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTIFDNYEVWFVIGSQHLYGPETLRQVTQHAEHVVNALNTEAKLPCKLVL
KPLGTTPDEITAICRDANYDDRCAGLVVWLHTFSPAKMWINGLTMLNKPL
LQFHTQFNAALPWDSIDMDFMNLNQTAHGGREFGFIGARMRQQHAVVTGH
WQDKQAHERIGSWMRQAVSKQDTRHLKVCRFGDNMREVAVTDGDKVAAQI
KFGFSVNTWAVGDLVQVVNSISDGDVNALVDEYESCYTMTPATQIHGEKR
QNVLEAARIELGMKRFLEQGGFHAFTTTFEDLHGLKQLPGLAVQRLMQQG
YGFAGEGDWKTAALLRIMKVMSTGLQGGTSFMEDYTYHFEKGNDLVLGSH
MLEVCPSIAVEEKPILDVQHLGIGGKDDPARLIFNTQTGPAIVASLIDLG
DRYRLLVNCIDTVKTPHSLPKLPVANALWKAQPDLPTASEAWILAGGAHH
TVFSHALNLNDMRQFAEMHDIEITVIDNDTRLPAFKDALRWNEVYYGF
Ligand information
Ligand IDRB0
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5-
InChIKeyHEBKCHPVOIAQTA-ZXFHETKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(C(C(CO)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)CO
ACDLabs 12.01OC(CO)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C([C@H](C([C@H](CO)O)O)O)O
CACTVS 3.370OC[C@H](O)[C@H](O)[C@H](O)CO
FormulaC5 H12 O5
NameD-ribitol
ChEMBLCHEMBL3137744
DrugBankDB14704
ZINCZINC000100014205
PDB chain4f2d Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4f2d Crystal Structure of Escherichia coli L-arabinose Isomerase (ECAI) complexed with Ribitol
Resolution2.3 Å
Binding residue
(original residue number in PDB)		M185 F279 E306 E333 H449
Binding residue
(residue number reindexed from 1)		M185 F279 E306 E333 H449
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.4: L-arabinose isomerase.
Gene Ontology
Molecular Function
GO:0008733 L-arabinose isomerase activity
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0030145 manganese ion binding
GO:0046872 metal ion binding
Biological Process
GO:0005996 monosaccharide metabolic process
GO:0019568 arabinose catabolic process
GO:0019569 L-arabinose catabolic process to xylulose 5-phosphate
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4f2d, PDBe:4f2d, PDBj:4f2d
PDBsum4f2d
PubMed
UniProtP08202|ARAA_ECOLI L-arabinose isomerase (Gene Name=araA)

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