Structure of PDB 1pd2 Chain 2 Binding Site BS01
Receptor Information
>1pd2 Chain 2 (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 2 Residue 302 [
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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)
R14 W39 K43 K50 I51 Q63 S64
Binding residue
(residue number reindexed from 1)
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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