Structure of PDB 4uoj Chain B Binding Site BS04

Receptor Information
>4uoj Chain B (length=917) 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
DASDSRSVLYSGKLEGVTQSDMTVTGSVTIDAHKPKLWWPRDMGNQQLYN
ITVSVSSAGSKTPILVSQRRVGFRTILFSSGNITDAQIASGITPGNNWHF
EINGHEFYAKGANLIPPDAFWPRVTSDRMNRLFDSVESQNFNMLRVWSSG
TYLPDWIYDIADERGVLLWSEFQFSDTLYPDSDDFKANVVGEITYNVRRL
NHHASLACWMGGNEFENLMLPIAQGADPATYPYVLGQYENLFITTLFNVL
AANSHSISYSPCSANNGWLEIDLDLPVPIVERYYNTTSGHIYGDTDFYNY
DTSVSFDTSAYPVGRFANEFGFISMPSIQTWQQAVDPEELSFNSTTVILR
NHHYPAGGLTRNIHNSTLGQVEMTLAVERYYPTPDKTDPVANFSSWCHAT
QLFQADMYKSEIQFYRRGSGLPERQLGSLYWQLNDIWQAPTWAGLEYDGR
WKVLPYVSRRTYEHVIASAFWNYTANELEIWVTSDLWEPVAGEVSLTWVD
LKGKPIANNAGMTKSTKFNVGAINTTQIITANIQSDLKIPDTSDAVLVIE
LTAHGKLPNAASSKTTTFTHHNHFLPVWPNQAKVSDPKLHLSYNKSTKKF
TVEATAGVSLYTWLTHPAGVLGFFDDNAFVLRPGEKKEVGFTLQQDTTGG
KWTEQVTVESLWDLTTP
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 chain4uoj Chain K 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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PDB4uoj 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.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N523 L548
Binding residue
(residue number reindexed from 1)		N498 L523
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:4uoj, PDBe:4uoj, PDBj:4uoj
PDBsum4uoj
PubMed24975648
UniProtA0A075B5H6

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