Structure of PDB 4pse Chain B Binding Site BS01

Receptor Information
>4pse Chain B (length=219) Species: 431241 (Trichoderma reesei QM6a) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WPSINEFLSELAKVMPIGDTITAACDLISDGEDAAASLFGISETENDPCG
DVTVLFARGTCDPGNVGVLVGPWFFDSLQTALGSRTLGVKGVPYPASVQD
FLSGSVQNGINMANQIKSVLQSCPNTKLVLGGYSQGSMVVHNAASNLDAA
TMSKISAVVLFGDPYYGKPVANFDAAKTLVVCHDGDNICQGGDIILLPHL
TYAEDADTAAAFVVPLVSH
Ligand information
Ligand IDC11
InChIInChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
InChIKeyQCBLJDSWVGAXQB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCCCCCCCCCC[PH](=O)OCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCP(=O)OCCCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCCCC[P@H](=O)OCCCC
ACDLabs 10.04O=P(OCCCC)CCCCCCCCCCC
FormulaC15 H33 O2 P
NameUNDECYL-PHOSPHINIC ACID BUTYL ESTER
ChEMBL
DrugBankDB02457
ZINCZINC000014880356
PDB chain4pse Chain B Residue 301 [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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PDB4pse A Cutinase from Trichoderma reesei with a Lid-Covered Active Site and Kinetic Properties of True Lipases.
Resolution1.71 Å
Binding residue
(original residue number in PDB)		T90 F131 S164 Q165 I218 I225 H229
Binding residue
(residue number reindexed from 1)		T60 F101 S134 Q135 I188 I195 H199
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.74: cutinase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0050525 cutinase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4pse, PDBe:4pse, PDBj:4pse
PDBsum4pse
PubMed25219509
UniProtA0A024SC78|CUTI1_HYPJR Cutinase (Gene Name=M419DRAFT_76732)

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