Structure of PDB 2we4 Chain A Binding Site BS01

Receptor Information
>2we4 Chain A (length=309) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GKKMVVALGGNAILSNDASAHAQQQALVQTSAYLVHLIKQGHRLIVSHGN
GPQVGNLLLQQQAADSEKNPAMPLDTCVAMTQGSIGYWLSNALNQELNKA
GIKKQVATVLTQVVVDPADEAFKNPTKPIGPFLTEAEAKEAMQAGAIFKE
DAGRGWRKVVPSPKPIDIHEAETINTLIKNDIITISCGGGGIPVVGQELK
GVEAVIDKDFASEKLAELVDADALVILTGVDYVCINYGKPDEKQLTNVTV
AELEEYKQAGHFAPGSMLPKIEAAIQFVESQPNKQAIITSLENLGSMSGD
EIVGTVVTK
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2we4 Chain A Residue 1311 [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]
PDB2we4 Substrate Binding and Catalysis in Carbamate Kinase Ascertained by Crystallographic and Site-Directed Mutagenesis Studies. Movements and Significance of a Unique Globular Subdomain of This Key Enzyme for Fermentative ATP Production in Bacteria.
Resolution2.02 Å
Binding residue
(original residue number in PDB)		G10 G11 N12 G50 G52 K128 K209
Binding residue
(residue number reindexed from 1)		G9 G10 N11 G49 G51 K127 K208
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G11 N12 K128 K209 K271
Catalytic site (residue number reindexed from 1) G10 N11 K127 K208 K270
Enzyme Commision number 2.7.2.2: carbamate kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008804 carbamate kinase activity
GO:0016301 kinase activity
Biological Process
GO:0006525 arginine metabolic process
GO:0016310 phosphorylation
GO:0019546 arginine deiminase pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:2we4, PDBe:2we4, PDBj:2we4
PDBsum2we4
PubMed20188742
UniProtP0A2X7|ARCC1_ENTFA Carbamate kinase 1 (Gene Name=arcC1)

[Back to BioLiP]