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BioLiP

Structure of PDB 5jrn Chain A Binding Site BS01

Receptor Information
>5jrn Chain A (length=189) Species: 1089449 (Fusarium oxysporum f. sp. vasinfectum 25433) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RTQPTTGTSGGYYFSFWTDTPNSVTYTNGNGGQFSMQWSGNGNHVGGKGW
MPGTSRTIKYSGSYNPNGNSYLAVYGWTRNPLIEYYIVENFGTYNPSSGG
QKKGEVNVDGSVYDIYVSTRVNAPSIDGNKTFQQYWSVRRNKRSSGSVNT
GAHFQAWKNVGLNLGTHDYQILAVEGYYSSGSASMTVSQ
Ligand information
Ligand ID6MJ
InChIInChI=1S/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
InChIKeyZBDGHWFPLXXWRD-JGWLITMVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4COC1C(C(C(CO1)O)O)O
OpenEye OEToolkits 2.0.4CO[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O
ACDLabs 12.01COC1OCC(C(C1O)O)O
CACTVS 3.385CO[CH]1OC[CH](O)[CH](O)[CH]1O
CACTVS 3.385CO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O5
Namemethyl beta-D-xylopyranoside;
methyl beta-D-xyloside;
methyl D-xyloside;
methyl xyloside
ChEMBL
DrugBank
ZINCZINC000013508746
PDB chain5jrn Chain A Residue 208 [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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PDB5jrn Crystal Structure of a Xylanase in Complex with a Monosaccharide at 2.84 Angstroem resolution
Resolution2.841 Å
Binding residue
(original residue number in PDB)		P5 Y76
Binding residue
(residue number reindexed from 1)		P4 Y75
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) N44 Y76 E85 Y87 E176
Catalytic site (residue number reindexed from 1) N43 Y75 E84 Y86 E175
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process

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Biological Process
External links

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