Structure of PDB 7uld Chain A Binding Site BS04

Receptor Information
>7uld Chain A (length=247) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VEVFPVEGLPLIKEGDDLAELISSRVRFEDGDVLVVCSTVISKAEGRIRR
LEEFNPSERAKEIAARIGKPAEFVQAVLEESEEVLLDFPFLLVKAKFGNV
CVNAGIDASNVEEGSLLLPPLDPDGSAEKLRRRILELTGKRVGVIITDTN
GRCFRRGVVGFAIGISGVKAMKDWIGRKDLYGRELEVTVECVADEIAAFA
NLLMGEGGDGIPAVVVRGLNVAGEGSMEEIYRSEEEDVIRRCLKRCL
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 chain7uld Chain A Residue 305 [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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PDB7uld A Universal Mechanism for Poly-glutamylation
Resolution1.3 Å
Binding residue
(original residue number in PDB)		L11 P12 L13 I14 C39 S40 T41 V42 K45 D109 N112 T151 M206 E208 G209 G212 I213 P214
Binding residue
(residue number reindexed from 1)		L9 P10 L11 I12 C37 S38 T39 V40 K43 D107 N110 T149 M204 E206 G207 G210 I211 P212
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7uld, PDBe:7uld, PDBj:7uld
PDBsum7uld
PubMed
UniProtO28028|COFE_ARCFU Coenzyme F420:L-glutamate ligase (Gene Name=cofE)

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