Structure of PDB 1llf Chain A Binding Site BS01

Receptor Information
>1llf Chain A (length=534) Species: 44322 (Limtongozyma cylindracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APTAKLANGDTITGLNAIINEAFLGIPFAEPPVGNLRFKDPVPYSGSLNG
QKFTSYGPSCMQQNPEGTFEENLGKTALDLVMQSKVFQAVLPQSEDCLTI
NVVRPPGTKAGANLPVMLWIFGGGFEIGSPTIFPPAQMVTKSVLMGKPII
HVAVNYRVASWGFLAGDDIKAEGSGNAGLKDQRLGMQWVADNIAGFGGDP
SKVTIFGESAGSMSVLCHLIWNDGDNTYKGKPLFRAGIMQSGAMVPSDPV
DGTYGNEIYDLFVSSAGCGSASDKLACLRSASSDTLLDATNNTPGFLAYS
SLRLSYLPRPDGKNITDDMYKLVRDGKYASVPVIIGDQNDEGTIFGLSSL
NVTTNAQARAYFKQSFIHASDAEIDTLMAAYPQDITQGSPFDTGIFNAIT
PQFKRISAVLGDLAFIHARRYFLNHFQGGTKYSFLSKQLSGLPIMGTFHA
NDIVWQDYLLGSGSVIYNNAFIAFATDLDPNTAGLLVNWPKYTSSSQSGN
NLMMINALGLYTGKDNFRTAGYDALMTNPSSFFV
Ligand information
Ligand IDF23
InChIInChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)
InChIKeyXEZVDURJDFGERA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCCCCC(=O)O
CACTVS 3.341CCCCCCCCCCCCCCCCCCCCCCC(O)=O
FormulaC23 H46 O2
NameTRICOSANOIC ACID
ChEMBLCHEMBL1173462
DrugBankDB03500
ZINCZINC000006920379
PDB chain1llf Chain A Residue 800 [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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PDB1llf Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		G123 G124 E208 S209 M213 P246 F296 L302 R303 L304 F345 Y361 F362 S365 F366 L410 H449 V534
Binding residue
(residue number reindexed from 1)		G123 G124 E208 S209 M213 P246 F296 L302 R303 L304 F345 Y361 F362 S365 F366 L410 H449 V534
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G123 G124 A210 Y254 E341 H449
Catalytic site (residue number reindexed from 1) G123 G124 A210 Y254 E341 H449
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0016787 hydrolase activity

View graph for
Molecular Function
External links
PDB RCSB:1llf, PDBe:1llf, PDBj:1llf
PDBsum1llf
PubMed12499539
UniProtQ6S5M9

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