Structure of PDB 4xhc Chain A Binding Site BS01

Receptor Information
>4xhc Chain A (length=513) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMMTRHPNFLRTAEALRPALSRQAHPPIAVVEAHADAAALFGWRAEPVST
LAAFYQRELSSGDSVIIDFGSHYVGYLHFLCQSAGSPPDAPAHLQLTFGE
TLSEVCEPFSDYQGWLSSSWLQQQDLWLDVLPAEIDLPRRYCFRYLKVEV
KAVSRKFRLQFTQIEVNAVTSASGACPAATTSDPQLRAIDNVAVLTLQNC
MQEVFEDGPKRDRRLWLGDLRLQALVNDVTFARHDLVRRCLYLFAGHTRE
DGMVSANVFVQPDVIADDTFLFDYSLFFVDVLYNYLQSAEDMATARELWP
TARRQVELALTRCDASGVVRDSDDWWVFIDWQASLNKQAAAQGVLIYCLQ
RAIWLAERFEPELAVSYRQRLQQLKSAALDALWDPQQGFYVSGARRQVSW
ASQIWLVLAEVGTPQQRREIMRNLEKNPPAVAMNTPYLRHHYIAALLQCG
LRDEAIAQIKAYWGAMVDYGADTFWEIFDPAHPDFSPYGSKLINSYCHAW
SCTPAWFIRQYGL
Ligand information
Ligand IDRAM
InChIInChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5+,6+/m0/s1
InChIKeySHZGCJCMOBCMKK-HGVZOGFYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)C
OpenEye OEToolkits 1.5.0C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0CC1C(C(C(C(O1)O)O)O)O
CACTVS 3.341C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
FormulaC6 H12 O5
Namealpha-L-rhamnopyranose;
alpha-L-rhamnose;
6-deoxy-alpha-L-mannopyranose;
L-rhamnose;
rhamnose
ChEMBL
DrugBank
ZINCZINC000003861280
PDB chain4xhc Chain A Residue 900 [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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PDB4xhc Crystal structure of a novel two domain GH78 family alpha-rhamnosidase from Klebsiella oxytoca with rhamnose bound.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D217 W226 D229 Y284 W341 E486 Y498 W510
Binding residue
(residue number reindexed from 1)		D207 W216 D219 Y274 W331 E476 Y488 W500
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.40: alpha-L-rhamnosidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0030596 alpha-L-rhamnosidase activity
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4xhc, PDBe:4xhc, PDBj:4xhc
PDBsum4xhc
PubMed25846411
UniProtA0A0J9X262

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