3AH3
Crystal structure of LR5-1, 3-isopropylmalate dehydrogenase created by directed evolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004449 | molecular_function | isocitrate dehydrogenase (NAD+) activity |
| A | 0006099 | biological_process | tricarboxylic acid cycle |
| A | 0006102 | biological_process | isocitrate metabolic process |
| A | 0009085 | biological_process | lysine biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019878 | biological_process | lysine biosynthetic process via aminoadipic acid |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047046 | molecular_function | homoisocitrate dehydrogenase activity |
| B | 0004449 | molecular_function | isocitrate dehydrogenase (NAD+) activity |
| B | 0006099 | biological_process | tricarboxylic acid cycle |
| B | 0006102 | biological_process | isocitrate metabolic process |
| B | 0009085 | biological_process | lysine biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019878 | biological_process | lysine biosynthetic process via aminoadipic acid |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0047046 | molecular_function | homoisocitrate dehydrogenase activity |
| C | 0004449 | molecular_function | isocitrate dehydrogenase (NAD+) activity |
| C | 0006099 | biological_process | tricarboxylic acid cycle |
| C | 0006102 | biological_process | isocitrate metabolic process |
| C | 0009085 | biological_process | lysine biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0019878 | biological_process | lysine biosynthetic process via aminoadipic acid |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0047046 | molecular_function | homoisocitrate dehydrogenase activity |
| D | 0004449 | molecular_function | isocitrate dehydrogenase (NAD+) activity |
| D | 0006099 | biological_process | tricarboxylic acid cycle |
| D | 0006102 | biological_process | isocitrate metabolic process |
| D | 0009085 | biological_process | lysine biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0019878 | biological_process | lysine biosynthetic process via aminoadipic acid |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0047046 | molecular_function | homoisocitrate dehydrogenase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 335 |
| Chain | Residue |
| A | ARG131 |
| C | LYS144 |
| C | LEU181 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 336 |
| Chain | Residue |
| A | GLU298 |
| site_id | AC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 337 |
| Chain | Residue |
| A | ILE157 |
| site_id | AC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 338 |
| Chain | Residue |
| A | ILE157 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO A 339 |
| Chain | Residue |
| A | ASN273 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 335 |
| Chain | Residue |
| D | LYS144 |
| D | LEU181 |
| B | ARG131 |
| B | HOH413 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 336 |
| Chain | Residue |
| B | GLU298 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO B 337 |
| Chain | Residue |
| B | ILE157 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO B 339 |
| Chain | Residue |
| B | ALA272 |
| B | ASN273 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 335 |
| Chain | Residue |
| A | LYS144 |
| A | LEU181 |
| C | ARG131 |
| C | HOH351 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 336 |
| Chain | Residue |
| C | ASP286 |
| C | GLU298 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 335 |
| Chain | Residue |
| B | LYS144 |
| D | ARG131 |
| D | HOH365 |
| site_id | BC4 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE EDO D 336 |
| Chain | Residue |
| D | ASP286 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27601325, ECO:0007744|PDB:4YB4 |
| Chain | Residue | Details |
| A | ALA70 | |
| B | ASN273 | |
| C | ALA70 | |
| C | LYS171 | |
| C | ASN173 | |
| C | GLY261 | |
| C | ASN273 | |
| D | ALA70 | |
| D | LYS171 | |
| D | ASN173 | |
| D | GLY261 | |
| A | LYS171 | |
| D | ASN273 | |
| A | ASN173 | |
| A | GLY261 | |
| A | ASN273 | |
| B | ALA70 | |
| B | LYS171 | |
| B | ASN173 | |
| B | GLY261 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 24 |
| Details | BINDING: in other chain => ECO:0000269|PubMed:27601325, ECO:0007744|PDB:4YB4 |
| Chain | Residue | Details |
| A | ILE72 | |
| B | ARG98 | |
| B | ARG118 | |
| B | TYR125 | |
| C | ILE72 | |
| C | MET85 | |
| C | ARG88 | |
| C | ARG98 | |
| C | ARG118 | |
| C | TYR125 | |
| D | ILE72 | |
| A | MET85 | |
| D | MET85 | |
| D | ARG88 | |
| D | ARG98 | |
| D | ARG118 | |
| D | TYR125 | |
| A | ARG88 | |
| A | ARG98 | |
| A | ARG118 | |
| A | TYR125 | |
| B | ILE72 | |
| B | MET85 | |
| B | ARG88 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:27601325, ECO:0000312|PDB:4YB4 |
| Chain | Residue | Details |
| A | ASP204 | |
| D | ASP204 | |
| D | ASP228 | |
| D | ASP232 | |
| A | ASP228 | |
| A | ASP232 | |
| B | ASP204 | |
| B | ASP228 | |
| B | ASP232 | |
| C | ASP204 | |
| C | ASP228 | |
| C | ASP232 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | SITE: Important for substrate specificity and discrimination against 3-isopropylmalate |
| Chain | Residue | Details |
| A | MET85 | |
| B | MET85 | |
| C | MET85 | |
| D | MET85 |
