Structure of PDB 1iyh Chain D Binding Site BS01
Receptor Information
>1iyh Chain D (length=198) Species:
9606
(Homo sapiens) [
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PNYKLTYFNMRGRAEIIRYIFAYLDIQYEDHRIEQADWPEIKSTLPFGKI
PILEVDGLTLHQSLAIARYLTKNTDLAGNTEMEQCHVDAIVDTLDDFMSC
FPWAEKKQDVKEQMFNELLTYNAPHLMQDLDTYLGGREWLIGMSVTWADF
YWEICSTTLLVFKPDLLDNHPRLVTLRKKVQAIPAVANWIKRRPQTKL
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
1iyh Chain D Residue 1800 [
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Receptor-Ligand Complex Structure
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PDB
1iyh
Mechanism of metal activation of human hematopoietic prostaglandin D synthase
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
Y608 R614 W639 K643 K650 I651 Q663 S664
Binding residue
(residue number reindexed from 1)
Y7 R13 W38 K42 K49 I50 Q62 S63
Annotation score
4
Enzymatic activity
Catalytic site (original residue number in PDB)
Y608 R614 R619 W704
Catalytic site (residue number reindexed from 1)
Y7 R13 R18 W103
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:0005515
protein binding
GO:0016740
transferase activity
GO:0016853
isomerase activity
GO:0042803
protein homodimerization activity
GO:0046872
metal ion binding
Biological Process
GO:0001516
prostaglandin biosynthetic process
GO:0006693
prostaglandin metabolic process
GO:0007165
signal transduction
GO:0007626
locomotory behavior
GO:0009624
response to nematode
GO:0010269
response to selenium ion
GO:2000255
negative regulation of male germ cell proliferation
Cellular Component
GO:0005654
nucleoplasm
GO:0005737
cytoplasm
GO:0005829
cytosol
GO:0043231
intracellular membrane-bounded organelle
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:1iyh
,
PDBe:1iyh
,
PDBj:1iyh
PDBsum
1iyh
PubMed
12627223
UniProt
O60760
|HPGDS_HUMAN Hematopoietic prostaglandin D synthase (Gene Name=HPGDS)
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