Structure of PDB 4fzi Chain A Binding Site BS01

Receptor Information
>4fzi Chain A (length=277) Species: 353153 (Trypanosoma cruzi strain CL Brener) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNCVTLHNSVRMPQLGLGVWRAQDGAETANAVRWAIEAGYRHIDTAYIYS
NERGVGQGIRESGVPREEVWVTTKVWNSDQGYEKTLAAFERSRELLGLEY
IDLYLIHWPGKKKFVDTWKALEKLYEEKKVRAIGVSNFEPHHLTELFKSC
KIRPMVNQVELHPLFQQRTLREFCKQHNIAITAWSPLGSGEEAGILKNHV
LGEIAKKHNKSPAQVVIRWDIQHGIVTIPKSTNKGRIQENFNVWDFKLTE
EEMRQIDELNEDKRIGADPDNFFPGGE
Ligand information
Ligand IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain4fzi Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4fzi Structures of prostaglandin F synthase from the protozoa Leishmania major and Trypanosoma cruzi with NADP.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		W24 Y53 H111 W188
Binding residue
(residue number reindexed from 1)		W20 Y49 H107 W184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D48 Y53 K78 H111
Catalytic site (residue number reindexed from 1) D44 Y49 K74 H107
Enzyme Commision number 1.1.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0036130 prostaglandin H2 endoperoxidase reductase activity
Biological Process
GO:0001516 prostaglandin biosynthetic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4fzi, PDBe:4fzi, PDBj:4fzi
PDBsum4fzi
PubMed25945716
UniProtQ4DJ07|PGFS_TRYCC 9,11-endoperoxide prostaglandin H2 reductase (Gene Name=Tc00.1047053511287.49)

[Back to BioLiP]