Structure of PDB 4zzw Chain A Binding Site BS01

Receptor Information
>4zzw Chain A (length=435) Species: 1173061 (Geotrichum candidum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EQIGTLTTETHPPLTWQTCTSGGSCTTNNGKVVLDANWRWLHSTSGSTNC
YTGNTWNTTLCPDDTTCAQNCALDGADYEGTYGITASGNSLRLNFVTNGS
QKNVGSRTYLMKDDTHYQTFNLLNQEFTFDVDVSGLPCGLNGALYMVPMA
ADGGVSNEPNNKAGAQYGVGYCDSQCPRDLKFIAGSANVQGWEPASNSGL
GGNGSCCAELDIWEANSISAALTPHSADTVTQTVCNGDDCGGTYSNDRYS
GTTDPDGCDFNSYRQGDTSFYGPGKTVDTNSKFTVVTQFLTDSSGNLNEI
KRFYVQNGVVIPNSQSTIAGISGNSITQDYCTAQKQVFGDTNTWEDHGGF
QSMTNAFKAGMVLVMSLWDDYYADMLWLDSVAYPTDADPSTPGVARGTCS
TTSGVPSDIESSAASAYVIYSNIKVGPINSTFSGT
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain4zzw 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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PDB4zzw Sequencing, Biochemical Characterization, Crystal Structure and Molecular Dynamics of Cellobiohydrolase Cel7A from Geotrichum Candidum 3C.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		D343 R399
Binding residue
(residue number reindexed from 1)		D340 R396
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E212 D214 E217 H228
Catalytic site (residue number reindexed from 1) E209 D211 E214 H225
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:4zzw, PDBe:4zzw, PDBj:4zzw
PDBsum4zzw
PubMed26367132
UniProtA0A088T0J9

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