Structure of PDB 2pno Chain B Binding Site BS01

Receptor Information
>2pno Chain B (length=146) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYR
AQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLVYLFARLRYFQGYARSA
QLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLL
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain2pno Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pno Crystal structure of a human membrane protein involved in cysteinyl leukotriene biosynthesis
Resolution3.3 Å
Binding residue
(original residue number in PDB)		V26 I27 R30 Y50
Binding residue
(residue number reindexed from 1)		V25 I26 R29 Y49
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.-
4.4.1.20: leukotriene-C4 synthase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004464 leukotriene-C4 synthase activity
GO:0004602 glutathione peroxidase activity
GO:0005515 protein binding
GO:0008047 enzyme activator activity
GO:0008289 lipid binding
GO:0016740 transferase activity
GO:0016829 lyase activity
GO:0042802 identical protein binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006691 leukotriene metabolic process
GO:0019370 leukotriene biosynthetic process
GO:0042759 long-chain fatty acid biosynthetic process
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005640 nuclear outer membrane
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0031965 nuclear membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2pno, PDBe:2pno, PDBj:2pno
PDBsum2pno
PubMed17632548
UniProtQ16873|LTC4S_HUMAN Leukotriene C4 synthase (Gene Name=LTC4S)

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