Structure of PDB 1pd2 Chain 1 Binding Site BS01
Receptor Information
>1pd2 Chain 1 (length=199) Species:
10116
(Rattus norvegicus) [
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MPNYKLLYFNMRGRAEIIRYIFAYLDIKYEDHRIEQADWPKIKPTLPFGK
IPVLEVEGLTLHQSLAIARYLTKNTDLAGKTELEQCQVDAVVDTLDDFMS
LFPWAEENQDLKERTFNDLLTRQAPHLLKDLDTYLGDKEWFIGNYVTWAD
FYWDICSTTLLVLKPDLLGIYPRLVSLRNKVQAIPAISAWILKRPQTKL
Ligand information
Ligand ID
GSH
InChI
InChI=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
InChIKey
RWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370
N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6
C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
Formula
C10 H17 N3 O6 S
Name
GLUTATHIONE
ChEMBL
CHEMBL1543
DrugBank
DB00143
ZINC
ZINC000003830891
PDB chain
1pd2 Chain 1 Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
1pd2
Cloning and crystal structure of hematopoietic prostaglandin D synthase.
Resolution
2.3 Å
Binding residue
(original residue number in PDB)
Y8 R14 W39 K43 K50 I51 Q63 S64
Binding residue
(residue number reindexed from 1)
Y8 R14 W39 K43 K50 I51 Q63 S64
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
Y8 R14 W104
Catalytic site (residue number reindexed from 1)
Y8 R14 W104
Enzyme Commision number
2.5.1.18
: glutathione transferase.
5.3.99.2
: prostaglandin-D synthase.
Gene Ontology
Molecular Function
GO:0000287
magnesium ion binding
GO:0004364
glutathione transferase activity
GO:0004667
prostaglandin-D synthase activity
GO:0005509
calcium ion binding
GO:0016740
transferase activity
GO:0016853
isomerase activity
GO:0042803
protein homodimerization activity
Biological Process
GO:0001516
prostaglandin biosynthetic process
GO:0006693
prostaglandin metabolic process
GO:0009624
response to nematode
GO:0010269
response to selenium ion
GO:2000255
negative regulation of male germ cell proliferation
Cellular Component
GO:0005737
cytoplasm
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1pd2
,
PDBe:1pd2
,
PDBj:1pd2
PDBsum
1pd2
PubMed
9323136
UniProt
O35543
|HPGDS_RAT Hematopoietic prostaglandin D synthase (Gene Name=Hpgds)
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