Structure of PDB 1gz1 Chain A Binding Site BS01

Receptor Information
>1gz1 Chain A (length=362) Species: 34413 (Humicola insolens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YAGNPFEGVQLWANNYYRSEVHTLAIPQITDPALRAAASAVAEVPSFQWL
DRNVTVDTLLVQTLSEIREANQAGANPQYAAQIVVYDLPDRDCAAAASNG
EWAIANNGVNNYKAYINRIREILISFSDVRTILVIEPDSLANMVTNMNVP
KCSGAASTYRELTIYALKQLDLPHVAMYMDAGHAGWLGWPANIQPAAELF
AKIYEDAGKPRAVRGLATNVANYNAWSVSSPPPYTSPNPNYDEKHYIEAF
RPLLEARGFPAQFIVDQGRSGKQPTGQKEWGHWCNAIGTGFGMRPTANTG
HQYVDAFVWVKPGGECDGTSDTTAARYAYHCGLEDALKPAPEAGQWFNEY
FIQLLRNANPPF
Ligand information
Ligand IDMGL
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKeyHOVAGTYPODGVJG-XUUWZHRGSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl beta-D-glucopyranoside;
O1-METHYL-GLUCOSE;
methyl beta-D-glucoside;
methyl D-glucoside;
methyl glucoside
ChEMBLCHEMBL132186
DrugBankDB01642
ZINCZINC000004262103
PDB chain1gz1 Chain B 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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PDB1gz1 Structure of the Humicola Insolens Cellobiohydrolase Cel6A D416A Mutant in Complex with a Non-Hydrolysable Substrate Analogue, Methyl Cellobiosyl-4-Thio-Beta-Cellobioside, at 1.9 A
Resolution1.9 Å
Binding residue
(original residue number in PDB)		N234 H271 W274
Binding residue
(residue number reindexed from 1)		N146 H183 W186
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y174 R179 D180 S186 D226 D405
Catalytic site (residue number reindexed from 1) Y86 R91 D92 S98 D138 D317
Enzyme Commision number 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
GO:0030245 cellulose catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1gz1, PDBe:1gz1, PDBj:1gz1
PDBsum1gz1
PubMed12454501
UniProtQ9C1S9|GUX6_HUMIN Exoglucanase-6A (Gene Name=cel6A)

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