Structure of PDB 2we5 Chain B Binding Site BS01

Receptor Information
>2we5 Chain B (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 IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain2we5 Chain B Residue 1311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2we5 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.
Resolution1.39 Å
Binding residue
(original residue number in PDB)		G11 T229 G230 V231 C235 Y238 S267 M268 K271
Binding residue
(residue number reindexed from 1)		G10 T228 G229 V230 C234 Y237 S266 M267 K270
Annotation score5
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2we5, PDBe:2we5, PDBj:2we5
PDBsum2we5
PubMed20188742
UniProtP0A2X7|ARCC1_ENTFA Carbamate kinase 1 (Gene Name=arcC1)

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