Structure of PDB 7su8 Chain B Binding Site BS01

Receptor Information
>7su8 Chain B (length=113) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMDIVFIEELSVITTIYDWEQTIQQKLVFDIEMGWDNRKAADDVNDCLSY
ADISEAVIQHVGSQRFALVERVAEEVAELLLRRFNSPWVRIKVSKPGAVA
QAKNVGVIIERGQ
Ligand information
Ligand IDNEN
InChIInChI=1S/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
InChIKeyGHAZCVNUKKZTLG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCN1C(=O)CCC1=O
ACDLabs 10.04O=C1N(C(=O)CC1)CC
FormulaC6 H9 N O2
Name1-ETHYL-PYRROLIDINE-2,5-DIONE
ChEMBL
DrugBankDB01902
ZINCZINC000001670837
PDB chain7su8 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7su8 DIHYDRONEOPTERIN ALDOLASE (DHNA) FROM YERSINIA PESTIS with alkylated Cys50 CO-CRYSTALLIZED with 7,8-dihydroneopterin
Resolution2.65 Å
Binding residue
(original residue number in PDB)		D45 D46 N48 D49 C50
Binding residue
(residue number reindexed from 1)		D42 D43 N45 D46 C47
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.2.25: dihydroneopterin aldolase.
Gene Ontology
Molecular Function
GO:0004150 dihydroneopterin aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0006760 folic acid-containing compound metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046656 folic acid biosynthetic process
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:7su8, PDBe:7su8, PDBj:7su8
PDBsum7su8
PubMed
UniProtA0A5P8YJX5

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