Structure of PDB 4zzu Chain A Binding Site BS01

Receptor Information
>4zzu Chain A (length=438) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQIGTLTTETHPPLTWQTCTSGGSCTTNNGKVVLDANWRWLHSTSGSTNC
YTGNTWNTTLCPDDTTCAQNCALDGADYEGTYGITASGNSLRLNFVTNGS
QKNVGSRTYLMKDDTHYQTFNLLNQEFTFDVDVSGLPCGLNGALYMVPMA
ADGGVSNEPNNKAGAQYGVGYCDSQCPRDLKFIAGSANVQGWEPASNSAN
SGLGGNGSCCAELDIWEANSISAALTPHSADTVTQTVCNGDDCGGTYSND
RYSGTTDPDGCDFNSYRQGDTSFYGPGKTVDTNSKFTVVTQFLTDSSGNL
NEIKRFYVQNGVVIPNSQSTIAGISGNSITQDYCTAQKQVFGDTNTWEDH
GGFQSMTNAFKAGMVLVMSLWDDYYADMLWLDSVAYPTDADPSTPGVARG
TCSTTSGVPSDIESSAASAYVIYSNIKVGPINSTFSGT
Ligand information
Ligand IDSGC
InChIInChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKeyKGSURTOFVLAWDC-QZABAPFNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)S)O
CACTVS 3.341OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1S
ACDLabs 10.04OC1C(S)C(OC(O)C1O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)S)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1S
FormulaC6 H12 O5 S
Name4-thio-beta-D-glucopyranose;
4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE;
4-thio-beta-D-glucose;
4-thio-D-glucose;
4-thio-glucose
ChEMBL
DrugBankDB03584
ZINC
PDB chain4zzu 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

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PDB4zzu Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
Resolution1.44 Å
Binding residue
(original residue number in PDB)		D259 R399
Binding residue
(residue number reindexed from 1)		D259 R399
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E212 D214 E217 H228
Catalytic site (residue number reindexed from 1) E212 D214 E217 H228
Enzyme Commision number 3.2.1.-
3.2.1.91: cellulose 1,4-beta-cellobiosidase (non-reducing end).
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:4zzu, PDBe:4zzu, PDBj:4zzu
PDBsum4zzu
PubMed26367132
UniProtA0A088T0J9

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