Structure of PDB 4f2d Chain B Binding Site BS01

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 A 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)		Q16 L18 Y19 F83
Binding residue
(residue number reindexed from 1)		Q16 L18 Y19 F83
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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