Ligand · GAI
GAI · Guanidine
GAI, Guanidine (C H5 N3, 59.1 g/mol), in the MolNFT structures on GenesisL1: bound in 52 records (45 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.
- Component
- GAI
- Formula
- C H5 N3
- Class
- ligand
- Structures
- 52
- PDB entries
- 45
Binding sites
GAI in 52 structures; the first of them:
- 5G5V · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 · GAI A1920 · binds ASP712, HIS713, MET714, TYR721, LEU728, VAL740, LEU741, HIS744
- 5GWB · Hen Egg White Lysozyme native crystals soaked for 2 hours in precipitant solution… · GAI A206 · binds ILE124, GLY126, CYS127, LEU129
- 5L8Y · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-937 · GAI A1004 · binds LEU915, ARG918
- 5U3G · Structure of the Dickeya dadantii ykkC riboswitch bound to guanidinium · GAI B125 · binds G33, A34, G63, G64, G79, G81
- 6FDX · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1086 · GAI A1007 · binds LEU753, SER754, PRO756, ASP759, ASP762, ARG769
- 6FTM · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-048 · GAI A1015 · binds ASP712, HIS713, MET714, TYR721, LEU728, LEU741, HIS744
- 6GXQ · Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1335 · GAI A1003 · binds LYS644, PHE645, GLU768
- 6P44 · Crystal Structure of Ketosteroid Isomerase D38N mutant from Mycobacterium hassiacum… · GAI A204 · binds GLU43
- 6Y3G · Crystal structure of phenylalanine tRNA from Escherichia coli · GAI F101 · binds PSU55, C56, G57
Residues it binds most
ASP 60, G 32, LEU 62, ARG 60, GLU 60, TYR 50, GLY 37, SER 42, PHE 36, ASN 38 (residue and the binding sites it lines).
Found with
- MG · Magnesium ion
- ZN · Zinc ion
- GOL · Glycerol
- FMT · Formic acid
- NA · Sodium ion
- SO4 · Sulfate ion
- CL · Chloride ion
- EDO · 1,2-ethanediol
- K · Potassium ion
- PEG · Di(hydroxyethyl)ether
- CA · Calcium ion
- CVA · 2-[(4-{5-[(4ar,8as)-3-cycloheptyl-4-oxo-3,4,4A,5,8,8A-hexahydrophthalazin-1-yl]-2-methoxyphenyl}phenyl) formamido]-N-(2-hydroxyethyl)acetamide
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