Structure of PDB 3u7b Chain B Binding Site BS01

Receptor Information
>3u7b Chain B (length=326) Species: 5507 (Fusarium oxysporum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASGLEAAMKAAGKQYFGTALTVRNDQGEIDIINNKNEIGSITPENAMKW
EAIQPNRGQFNWGPADQHAAAATSRGYELRCHTLVWHSQLPSWVANGNWN
NQTLQAVMRDHINAVMGRYRGKCTHWDVVNEALNEDGTYRDSVFLRVIGE
AYIPIAFRMALAADPTTKLYYNDYNLEYGNAKTEGAKRIARLVKSYGLRI
DGIGLQAHMTSESTPTQNTPTPSRAKLASVLQGLADLGVDVAYTELDIRM
NTPATQQKLQTNADAYARIVGSCMDVKRCVGITVWGISDKYSWVPGTFPG
EGSALLWNDNFQKKPSYTSTLNTINR
Ligand information
Ligand IDBMA
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-RWOPYEJCSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-mannopyranose;
beta-D-mannose;
D-mannose;
mannose
ChEMBL
DrugBank
ZINCZINC000003830679
PDB chain3u7b Chain G Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3u7b The structure of a GH10 xylanase from Fusarium oxysporum reveals the presence of an extended loop on top of the catalytic cleft.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		S195 Y196
Binding residue
(residue number reindexed from 1)		S195 Y196
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E131 N172 H208 E245 D247
Catalytic site (residue number reindexed from 1) E131 N172 H208 E245 D247
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:0016787 hydrolase activity
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3u7b, PDBe:3u7b, PDBj:3u7b
PDBsum3u7b
PubMed22751658
UniProtB3A0S5|XYNA_FUSO4 Endo-1,4-beta-xylanase A (Gene Name=FOXG_17421)

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