Structure of PDB 8g8p Chain AAA Binding Site BS01

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 IDF42
InChIInChI=1S/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9,12,16-17,19-20,23,35-37,41H,4-7,10-11H2,1H3,(H,30,38)(H,31,42)(H,39,40)(H,44,45)(H,46,47)(H,49,50)(H,33,43,48)/t12-,16-,17-,19-,20+,23-/m0/s1
InChIKeyGEHSZWRGPHDXJO-NALJQGANSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.5C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)O[P@](=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O
OpenEye OEToolkits 1.7.5CC(C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O
CACTVS 3.385C[C@H](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)C(OP(=O)(O)OCC(O)C(O)C(O)CN3c1c(ccc(O)c1)C=C2C3=NC(=O)NC2=O)C)CCC(=O)O
FormulaC29 H36 N5 O18 P
NameCOENZYME F420
ChEMBL
DrugBankDB03913
ZINCZINC000198210272
PDB chain8g8p Chain AAA Residue 301 [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)		F92 V104 N105 D109 A110 S111 T151 G153 R154 C155
Binding residue
(residue number reindexed from 1)		F91 V103 N104 D108 A109 S110 T150 G152 R153 C154
Annotation score2
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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