Structure of PDB 3vpc Chain C Binding Site BS01

Receptor Information
>3vpc Chain C (length=275) Species: 111955 (Sulfurisphaera tokodaii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRVVLIVDIVRQEEKLIAKALEENKVQYDIINVAQEPLPFNKALGRYDVA
IIRPVSMYRALYSSAVLEAAGVHTINSSDVINVCGDKILTYSKLYREGIP
IPDSIIALSAEAALKAYEQRGFPLIDKPPIGSWGRLVSLIRDVFEGKTII
EHRELMGNSALKAHIVQEYIQYKGRDIRCIAIGEELLGCYARNIPPNEWR
APSNIEVDEKLKETVVKAVSIVHGEFVSIDILEHPNKGYVVNELNDVPEF
KGFMVATNINVAQKLVEYIKENYSK
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 chain3vpc Chain C Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3vpc Lysine and arginine biosyntheses mediated by a common carrier protein in Sulfolobus.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		K87 K127 S132 W133 G134 V137 Y169 I170 R200 A201 N249 E250
Binding residue
(residue number reindexed from 1)		K87 K127 S132 W133 G134 V137 Y169 I170 R200 A201 N242 E243
Annotation score5
Enzymatic activity
Enzyme Commision number 6.3.2.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0043774 coenzyme F420-2 alpha-glutamyl ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0006526 L-arginine biosynthetic process
GO:0009085 lysine biosynthetic process
GO:0036211 protein modification 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:3vpc, PDBe:3vpc, PDBj:3vpc
PDBsum3vpc
PubMed23434852
UniProtQ970U6|ARGX_SULTO Glutamate--LysW ligase ArgX (Gene Name=argX)

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