Structure of PDB 4cvu Chain A Binding Site BS02

Receptor Information
>4cvu Chain A (length=913) Species: 5544 (Trichoderma harzianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKASIHDLALQKWTVTNEYGNITVPGKFPSQAHLDLHAAGVIGESNNGLN
DFDLRWIAAQNWTYTSKPISGLSKHSDIATWLVFDGLDTYATVKFCDHIV
GTPDNQFRQWFYDVSSALASCKSDPVLSINFGSVPRIINAINASDEVQHW
PASVVYPFEYPNRQWVRKEQNDFGWDWGPAFSPVGPWQPGRIVQLSKGGE
LYSLNTDIDIFRKGQFNNFAPDQTAPWVVNASLDFLGTLPKHASMSVIIT
DASVLYSGKLEGVTQSDMTVTGSVTIDAHKPKLWWPRDMGNQQLYNITVS
VSSAGSKTPILVSQRRVGFRTILFSSGNITDAQIASGITPGNNWHFEING
HEFYAKGANLIPPDAFWPRVTSDRMNRLFDSVESQNFNMLRVWSSGTYLP
DWIYDIADERGVLLWSEFQFSDTLYPDSDDFKANVVGEITYNVRRLNHHA
SLACWMGGNEFENLMLPIAQGADPATYPYVLGQYENLFITTLFNVLAANS
HSISYSPCSANNGWLEIDLDLPVPIVERYYNTTSGHIYGDTDFYNYDTSV
SFDTSAYPVGRFANEFGFISMPSIQTWQQAVDPEELSFNSTTVILRNHHY
PAGGLTRNIHNSTLGQVEMTLAVERYYPTPDKTDPVANFSSWCHATQLFQ
ADMYKSEIQFYRRGSGLPERQLGSLYWQLNDIWQAPTWAGLEYDGRWKVL
PYVSRRTYEHVIASAFWNYTANELEIWVTSDLWEPVAGEVSLTWVDLKGK
PIANNAGMTKSTKFNVGAINTTQIITANIQSDLKIPDTSDAVLVIELTAH
GKLPNAASSKTTTFTHHNHFLPVWPNQAKVSDPKLHLSYNKSTKKFTVEA
TAGVSLYTWLTHPAGVLGFFDDNAFVLRPGEKKEVGFTLQQDTTGGKWTE
QVTVESLWDLTTP
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 chain4cvu Chain D Residue 4 [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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PDB4cvu Insights into the structure and function of fungal beta-mannosidases from glycoside hydrolase family 2 based on multiple crystal structures of the Trichoderma harzianum enzyme.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G511 E514 N515
Binding residue
(residue number reindexed from 1)		G482 E485 N486
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.25: beta-mannosidase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4cvu, PDBe:4cvu, PDBj:4cvu
PDBsum4cvu
PubMed24975648
UniProtA0A075B5H6

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