Structure of PDB 2pno Chain J Binding Site BS01

Receptor Information
>2pno Chain J (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 J Residue 210 [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)		R51 N55 E58 Y59 Y93 Y97 R104 L108
Binding residue
(residue number reindexed from 1)		R50 N54 E57 Y58 Y92 Y96 R103 L107
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
View graph for
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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