Structure of PDB 4zzt Chain A Binding Site BS04

Receptor Information
>4zzt Chain A (length=434) Species: 1173061 (Geotrichum candidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQIGTLTTETHPPLTWQTCTSGGSCTTNNGKVVLDANWRWLHSTSGSTNC
YTGNTWNTTLCPDDTTCAQNCALDGADYEGTYGITASGNSLRLNFVTNGS
QKNVGSRTYLMKDDTHYQTFNLLNQEFTFDVDVSGLPCGLNGALYMVPMA
ADGGVSNEPNNKAGAQYGVGYCDSQCPRDLKFIAGSANVQGWEPANSGLG
GNGSCCAELDIWEANSISAALTPHSADTVTQTVCNGDDCGGTYSNDRYSG
TTDPDGCDFNSYRQGDTSFYGPGKTVDTNSKFTVVTQFLTDSSGNLNEIK
RFYVQNGVVIPNSQSTIAGISGNSITQDYCTAQKQVFGDTNTWEDHGGFQ
SMTNAFKAGMVLVMSLWDDYYADMLWLDSVAYPTDADPSTPGVARGTCST
TSGVPSDIESSAASAYVIYSNIKVGPINSTFSGT
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 chain4zzt Chain D 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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PDB4zzt Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
Resolution1.56 Å
Binding residue
(original residue number in PDB)		R107 Y145 Y247 S369 W371
Binding residue
(residue number reindexed from 1)		R107 Y145 Y243 S365 W367
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E212 D214 E217 H228
Catalytic site (residue number reindexed from 1) E208 D210 E213 H224
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:4zzt, PDBe:4zzt, PDBj:4zzt
PDBsum4zzt
PubMed26367132
UniProtA0A088T0J9

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