Structure of PDB 1llf Chain B Binding Site BS01

Receptor Information
>1llf Chain B (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 B Residue 1800 [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]
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)		G1122 G1124 E1208 S1209 M1213 P1246 L1302 R1303 L1304 F1345 Y1361 F1362 S1365 F1366 L1410 H1449 V1534
Binding residue
(residue number reindexed from 1)		G122 G124 E208 S209 M213 P246 L302 R303 L304 F345 Y361 F362 S365 F366 L410 H449 V534
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G1123 G1124 A1159 S1209 A1210 Y1254 L1304 Y1306 E1341 H1449
Catalytic site (residue number reindexed from 1) G123 G124 A159 S209 A210 Y254 L304 Y306 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

[Back to BioLiP]