Structure of PDB 6rv8 Chain B Binding Site BS01

Receptor Information
>6rv8 Chain B (length=381) Species: 90312 (Cerrena unicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ACGAIASTVPNYNNAKLPDPFTFANGTALRTKADWSCRRAEISALIQNYE
AGTLPPKPPVVTASFSKSGNTGTLAITAGLSNSQTIKFSPTISYPSGTPP
ANGWPLIIAYEGGSIPIPAGVATLTYSNSDMAQQNSASSRGQGLFYQLYG
STHSASAMTAWVWGVSRIIDALEMTPTAQINTQRIGVTGCSRDGKGALMA
GAFEERIALTIPQESGSGGDACWRLSKYEIDNGNQVQDAVEIVGENVWFS
TNFNNYVQKLPTVPEDHHLLAAMVAPRAMISFENTDYLWLSPMSSFGCMT
AAHTVWQGLGIADSHGFAQVGGHAHCAWPSSLTPQLNAFINRFLLDQSAT
TNVFTTNNQFGKVQWNAANWITWTTPTLTGL
Ligand information
Ligand IDXYL
InChIInChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
InChIKeyHEBKCHPVOIAQTA-SCDXWVJYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C([C@@H](CO)O)O)O)O
OpenEye OEToolkits 1.5.0C(C(C(C(CO)O)O)O)O
CACTVS 3.341OC[CH](O)[CH](O)[CH](O)CO
CACTVS 3.341OC[C@H](O)[C@@H](O)[C@H](O)CO
ACDLabs 10.04OC(CO)C(O)C(O)CO
FormulaC5 H12 O5
NameXylitol;
D-Xylitol
ChEMBLCHEMBL96783
DrugBankDB11195
ZINCZINC000100018612
PDB chain6rv8 Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6rv8 The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E320 W368
Binding residue
(residue number reindexed from 1)		E241 W289
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.117: (4-O-methyl)-D-glucuronate--lignin esterase.
Gene Ontology
Molecular Function
GO:0030248 cellulose binding
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0046274 lignin catabolic process
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6rv8, PDBe:6rv8, PDBj:6rv8
PDBsum6rv8
PubMed32094331
UniProtA0A0A7EQR3|GCE_CERUI 4-O-methyl-glucuronoyl methylesterase

[Back to BioLiP]