Structure of PDB 6rv8 Chain B Binding Site BS03

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 IDMAN
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-PQMKYFCFSA-N
SMILES
SoftwareSMILES
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
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]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
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain6rv8 Chain B Residue 506 [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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PDB6rv8 The structural basis of fungal glucuronoyl esterase activity on natural substrates.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T87 N127 Y128
Binding residue
(residue number reindexed from 1)		T8 N48 Y49
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

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

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