Structure of PDB 8g8p Chain AAA Binding Site BS02

Receptor Information
>8g8p Chain AAA (length=248) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVEVFPVEGLPLIKEGDDLAELISSRVRFEDGDVLVVCSTVISKAEGRIR
RLEEFNPSERAKEIAARIGKPAEFVQAVLEESEEVLLDFPFLLVKAKFGN
VCVNAGIDASNVEEGSLLLPPLDPDGSAEKLRRRILELTGKRVGVIITDT
NGRCFRRGVVGFAIGISGVKAMKDWIGRKDLYGRELEVTVECVADEIAAF
ANLLMGEGGDGIPAVVVRGLNVAGEGSMEEIYRSEEEDVIRRCLKRCL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain8g8p Chain AAA Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8g8p Poly-gamma-glutamylation of biomolecules.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		L11 P12 I14 C39 S40 T41 V42 K45 D109 N112 D150 T151 M206 E208 G209 G212 I213 P214
Binding residue
(residue number reindexed from 1)		L10 P11 I13 C38 S39 T40 V41 K44 D108 N111 D149 T150 M205 E207 G208 G211 I212 P213
Annotation score4
Enzymatic activity
Enzyme Commision number 6.3.2.31: coenzyme F420-0:L-glutamate ligase.
6.3.2.34: coenzyme F420-1:gamma-L-glutamate ligase.
Gene Ontology
Molecular Function
GO:0005525 GTP binding
GO:0016874 ligase activity
GO:0043773 coenzyme F420-0 gamma-glutamyl ligase activity
GO:0046872 metal ion binding
GO:0052618 coenzyme F420-0:L-glutamate ligase activity
GO:0052619 coenzyme F420-1:gamma-L-glutamate ligase activity
Biological Process
GO:0052645 F420-0 metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8g8p, PDBe:8g8p, PDBj:8g8p
PDBsum8g8p
PubMed38346985
UniProtO28028|COFE_ARCFU Coenzyme F420:L-glutamate ligase (Gene Name=cofE)

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