Structure of PDB 3vxc Chain B Binding Site BS02
Receptor Information
>3vxc Chain B (length=398) Species:
1952
(Streptomyces thermoviolaceus) [
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TITAMVYGDDAVKVQDKAASRFNASAEAKKANAKVKMERIPASDYPAKLR
TAMGSPNAPDIFFNWGGGSIKAYKEAGQLVDLTDVIKSDEVLSTGFLPSV
VAAGSLDGHEYGIPMRGMQPVLLFYNKSVFAEHKLTPPTTWDQLLDNVAK
LKKAGVTPFALGGVEIWPELMWLEYLVDRIGGPQVFDKIRNGDASGWGDP
AVLKAAQTVKQLVDEGAFGKGFSSVSYNNGGAPALLAKGKAGMHLMGSWE
YSTQLGKFPDFAKKDLGWCAFPSFEGGAGDIRNVVGNPCNYWSVNARTGN
KDGAIAFLRDCASEAYTKDLIDNGDVPTTTIAENMLDSSPNPEFAKFQYQ
LVQKAPNFTLSWDQAVDPDWQQPMLTEINKLFVGKSSPEQFVSALKGL
Ligand information
Ligand ID
XYP
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKey
SRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341
O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0
C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341
O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04
OC1C(O)COC(O)C1O
Formula
C5 H10 O5
Name
beta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINC
ZINC000001529215
PDB chain
3vxc Chain D Residue 2 [
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Receptor-Ligand Complex Structure
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PDB
3vxc
Crystal Structure of Xylooligosaccharide-Binding Protein from Streptomyces thermoviolaceus OPC-520: Dramatic Conformational Change with Ligand binding
Resolution
1.85 Å
Binding residue
(original residue number in PDB)
Y44 W102 W204 W286 S398 D400
Binding residue
(residue number reindexed from 1)
Y7 W65 W167 W249 S361 D363
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:3vxc
,
PDBe:3vxc
,
PDBj:3vxc
PDBsum
3vxc
PubMed
UniProt
Q76BU9
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