Structure of PDB 1qk0 Chain B Binding Site BS09

Receptor Information
>1qk0 Chain B (length=363) Species: 51453 (Trichoderma reesei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TATYSGNPFVGVTPWANAYYASEVSSLAIPSLTGAMATAAAAVAKVPSFM
WLDTLDKTPLMEQTLADIRTANKNGGNYAGQFVVYDLPDRDCAALASNGE
YSIADGGVAKYKNYIDTIRQIVVEYSDIRTLLVIEPDSLANLVTNLGTPK
CANAQSAYLECINYAVTQLNLPNVAMYLDAGHAGWLGWPANQDPAAQLFA
NVYKNASSPRALRGLATNVANYNGWNITSPPSYTQGNAVYNEKLYIHAIG
PLLANHGWSNAFFITDQGRSGKQPTGQQQWGDWCNVIGTGFGIRPSANTG
DSLLDSFVWVKPGGECDGTSDSSAPRFDSHCALPDALQPAPQAGAWFQAY
FVQLLTNANPSFL
Ligand information
Ligand IDIOB
InChIInChI=1S/C7H7IO/c8-7-3-1-2-6(4-7)5-9/h1-4,9H,5H2
InChIKeyQGCCNWSXJHGUNL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Ic1cc(ccc1)CO
CACTVS 3.341OCc1cccc(I)c1
OpenEye OEToolkits 1.5.0c1cc(cc(c1)I)CO
FormulaC7 H7 I O
Name3-IODO-BENZYL ALCOHOL
ChEMBL
DrugBankDB03339
ZINCZINC000000406922
PDB chain1qk0 Chain B Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1qk0 Crystallographic Evidence for Substrate Ring Distortion and Protein Conformational Changes During Catalysis in Cellobiohydrolase Cel6A from Trichoderma Reesei
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D221 W367
Binding residue
(residue number reindexed from 1)		D137 W283
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y169 R174 D175 S181 D221 D401
Catalytic site (residue number reindexed from 1) Y85 R90 D91 S97 D137 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1qk0, PDBe:1qk0, PDBj:1qk0
PDBsum1qk0
PubMed10508787
UniProtP07987|GUX2_HYPJE Exoglucanase 2 (Gene Name=cbh2)

[Back to BioLiP]