Structure of PDB 3w5n Chain A Binding Site BS02

Receptor Information
>3w5n Chain A (length=1029) Species: 227882 (Streptomyces avermitilis MA-4680 = NBRC 14893) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALRVTSPSVEYVQRPLGLDAAHPRLSWPMASAAPGRRQSAYQVRVASSAA
GLSHPDVWDSGKVVSDDSVLVPYAGPPLKPRTRYFWSVRVWDADGGASEW
SAPSWWETGLMGASQWSAKWISAPAPLTEAPSLEGSSWIWFPEGEPANSA
PAATRWFRRTVDLPDDITGATLAISADNVYAVSVDGAEVARTDLEADNEG
WRRPAVIDVLDHVHSGNNTLAVSASNASVGPAGWICVLVLTTASGEKKIF
SDASWKSTDHEPADGWREPDFDDSGWPAAKVAAAWGAGPWGRVAPVASAA
NQLRHEFRLPHKKVSRARLYATALGLYEAHLNGRRVGRDQLAPGWTDYRK
RVQYQTYDVTSSVRPGANALAAYVAPGWYAGNVGMFGPHQYGERPALLAQ
LEVEYADGTSERITSGPDWRAASGPIVSADLLSGETYDARKETAGWTSPG
FDDRAWLAVRGADNDVPEQIVAQVDGPVRIAKELPARKVTEPKPGVFVLD
LGQNMVGSVRLRVSGDAGTTVRLRHAEVLNPDGTIYTANLRSAAATDTYT
LKGQGEETYEPRFTFHGFRYVEVTGFPGKPSTTSVTGRVMHTSAPFTFEF
ETNVPMLNKLHSNITWGQRGNFLSVPTDTPARDERLGWTGDINVFAPTAA
YTMESARFLTKWLVDLRDAQTSDGAFTDVAPAVGNLGNGVAGWGDAGVTV
PWALYQAYGDRQVLADALPSVHAWLRYLEKHSDGLLRPADGYGDWLNVSD
ETPKDVIATAYFAHSADLAARMATELGKDAAPYTDLFTRIRKAFQTAYVA
SDGKVKGDTQSAYVLTLSMNLVPDALRKAAADRLVALIEAKDWHLSTGFL
GTPRLLPVLTDTGHTDVAYRLLHQRTFPSWGYPIDKGSTTMWERWDSIQP
DGGFQTPEMNSFNHYAYGSVGEWMYANIAGIAPGRAGYRQVVIRPRPGGE
VTSARATFASLHGPVSTRWQQRSGGFVLTCSVPPNTTAEVWIPADHPDRV
QHTHGTFVRAEDGCAVFEVGSGSHRFTVK
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 chain3w5n Chain A Residue 1202 [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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PDB3w5n The structure of a Streptomyces avermitilis alpha-L-rhamnosidase reveals a novel carbohydrate-binding module CBM67 within the six-domain arrangement.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D630 E636 W640 D643 W695 Y744 W747 H916
Binding residue
(residue number reindexed from 1)		D628 E634 W638 D641 W693 Y742 W745 H914
Annotation score5
Enzymatic activity
Enzyme Commision number 3.2.1.40: alpha-L-rhamnosidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0030596 alpha-L-rhamnosidase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3w5n, PDBe:3w5n, PDBj:3w5n
PDBsum3w5n
PubMed23486481
UniProtQ82PP4|RHA78_STRAW Alpha-L-rhamnosidase (Gene Name=SAVERM_828)

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