Structure of PDB 1de5 Chain A Binding Site BS01

Receptor Information
>1de5 Chain A (length=417) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTQLEQAWELAKQRFAAVGIDVEEALRQLDRLPVSMHCWQGDDVSGFENP
EGSLTGGIQATGNYPGKARNASELRADLEQAMRLIPGPKRLNLHAIYLES
DTPVSRDQIKPEHFKNWVEWAKANQLGLDFNPSCFSHPLSADGFTLSHAD
DSIRQFWIDHCKASRRVSAYFGEQLGTPSVMNIWIPDGMKDITVDRLAPR
QRLLAALDEVISEKLNPAHHIDAVESKLFGIGAESYTVGSNEFYMGYATS
RQTALCLDAGHFHPTEVISDKISAAMLYVPQLLLHVSRPVRWDSDHVVLL
DDETQAIASEIVRHDLFDRVHIGLDFFDASINRIAAWVIGTRNMKKALLR
ALLEPTAELRKLEAPGDYTARLALLEEQKSLPWQAVWEMYCQRHDTPAGS
EWLESVRAYEKEILSRR
Ligand information
Ligand IDRNT
InChIInChI=1S/C6H14O5/c1-3(8)5(10)6(11)4(9)2-7/h3-11H,2H2,1H3/t3-,4-,5-,6-/m0/s1
InChIKeySKCKOFZKJLZSFA-BXKVDMCESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(C(C(CO)O)O)O)O
CACTVS 3.341C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO
ACDLabs 10.04OC(C(O)C)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H]([C@H]([C@H](CO)O)O)O)O
CACTVS 3.341C[CH](O)[CH](O)[CH](O)[CH](O)CO
FormulaC6 H14 O5
NameL-RHAMNITOL
ChEMBL
DrugBankDB02399
ZINCZINC000002046963
PDB chain1de5 Chain A Residue 1460 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1de5 The structure of rhamnose isomerase from Escherichia coli and its relation with xylose isomerase illustrates a change between inter and intra-subunit complementation during evolution.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W48 I67 H103 W193 E234 K236 H270 H294 D302 D334
Binding residue
(residue number reindexed from 1)		W39 I58 H94 W184 E225 K227 H261 H285 D293 D325
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W193 E234 K236 D267 H270 H294 D302 D304 D334
Catalytic site (residue number reindexed from 1) W184 E225 K227 D258 H261 H285 D293 D295 D325
Enzyme Commision number 5.3.1.14: L-rhamnose isomerase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008740 L-rhamnose isomerase activity
GO:0016853 isomerase activity
GO:0030145 manganese ion binding
GO:0033296 rhamnose binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0019299 rhamnose metabolic process
GO:0019301 rhamnose catabolic process
GO:0019324 L-lyxose metabolic process
GO:0051289 protein homotetramerization
Cellular Component
GO:0005737 cytoplasm
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1de5, PDBe:1de5, PDBj:1de5
PDBsum1de5
PubMed10891278
UniProtP32170|RHAA_ECOLI L-rhamnose isomerase (Gene Name=rhaA)

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