Structure of PDB 6yvb Chain D Binding Site BS01

Receptor Information
>6yvb Chain D (length=319) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHSGLEVLFQGPHMFELSDVIEGKQFDREMLSAIFDVAREMEKIEKSSS
QSEILKGYLMATLFYEPSTRTRLSFESAMKRLGGEVLTTENAREFGETLE
DTIRTVEGYSDIIVMRHFESGAARKAAATANIPVINAGDGPGEHPTQALL
DVYTIQSEIGKLDGISVALVGDLANGRTVRSLAYLLAKFKDVKIYFVSPE
IVKMKDDIKDYLTSSGVEWEESSDLMEVASKCDVVYQTRIQRERFGERLD
LYEAARGKFIVDKDLLGVMQKKAIIMHPLPRLDEITADVDADPRAAYFRQ
AKNGLFIRMALLKLLLVGW
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 chain6yvb Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6yvb Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Resolution1.826 Å
Binding residue
(original residue number in PDB)		S134 T135 R136 T137 R187 H215 Q218
Binding residue
(residue number reindexed from 1)		S68 T69 R70 T71 R116 H144 Q147
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) R187 H215 Q218 T309 P349 G375
Catalytic site (residue number reindexed from 1) R116 H144 Q147 T238 P278 G304
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
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Biological Process
External links
PDB RCSB:6yvb, PDBe:6yvb, PDBj:6yvb
PDBsum6yvb
PubMed33574254
UniProtP49077|PYRB_ARATH Aspartate carbamoyltransferase, chloroplastic (Gene Name=PYRB)

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