Structure of PDB 6ysp Chain B Binding Site BS01

Receptor Information
>6ysp Chain B (length=312) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHMFELSDVIEGKQFDREMLSAIFDVAREMEKIEKSSSQSEILKGYLMAT
LFYEPSTRTRLSFESAMKRLGGEVLTTENAREFSSAAKGETLEDTIRTVE
GYSDIIVMRHFESGAARKAAATANIPVINAGDGPGEHPTQALLDVYTIQS
EIGKLDGISVALVGDLANGRTVRSLAYLLAKFKDVKIYFVSPEIVKMKDD
IKDYLTSSGVEWEESSDLMEVASKCDVVYQTRIQRERFGERLDLYEAARG
KFIVDKDLLGVMQKKAIIMHPLPRLDEITADVDADPRAAYFRQAKNGLFI
RMALLKLLLVGW
Ligand information
Ligand IDCP
InChIInChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKeyFFQKYPRQEYGKAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(=O)(N)OP(=O)(O)O
FormulaC H4 N O5 P
NamePHOSPHORIC ACID MONO(FORMAMIDE)ESTER
ChEMBLCHEMBL369105
DrugBank
ZINCZINC000008383183
PDB chain6ysp Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ysp Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		S134 T135 R136 T137 R187 H215 Q218 P349 L350
Binding residue
(residue number reindexed from 1)		S56 T57 R58 T59 R109 H137 Q140 P271 L272
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R187 H215 Q218 T309 P349 G375
Catalytic site (residue number reindexed from 1) R109 H137 Q140 T231 P271 G297
Enzyme Commision number 2.1.3.2: aspartate carbamoyltransferase.
Gene Ontology
Molecular Function
GO:0004070 aspartate carbamoyltransferase activity
GO:0016597 amino acid binding
GO:0016743 carboxyl- or carbamoyltransferase activity
Biological Process
GO:0006207 'de novo' pyrimidine nucleobase biosynthetic process
GO:0006520 amino acid metabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6ysp, PDBe:6ysp, PDBj:6ysp
PDBsum6ysp
PubMed33574254
UniProtP49077|PYRB_ARATH Aspartate carbamoyltransferase, chloroplastic (Gene Name=PYRB)

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