4XDZ
Holo structure of ketol-acid reductoisomerase from Ignisphaera aggregans
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004455 | molecular_function | ketol-acid reductoisomerase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0009082 | biological_process | branched-chain amino acid biosynthetic process |
| A | 0009097 | biological_process | isoleucine biosynthetic process |
| A | 0009099 | biological_process | valine biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0050661 | molecular_function | NADP binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004455 | molecular_function | ketol-acid reductoisomerase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0009082 | biological_process | branched-chain amino acid biosynthetic process |
| B | 0009097 | biological_process | isoleucine biosynthetic process |
| B | 0009099 | biological_process | valine biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 39 |
| Details | binding site for residue NDP A 401 |
| Chain | Residue |
| A | GLY24 |
| A | PRO82 |
| A | ASP83 |
| A | VAL85 |
| A | GLN86 |
| A | ALA107 |
| A | HIS108 |
| A | SER132 |
| A | PRO133 |
| A | GLY134 |
| A | 40E404 |
| A | TYR25 |
| A | HOH511 |
| A | HOH533 |
| A | HOH547 |
| A | HOH597 |
| A | HOH606 |
| A | HOH611 |
| A | HOH615 |
| A | HOH618 |
| A | HOH628 |
| A | HOH633 |
| A | GLY26 |
| A | HOH634 |
| A | HOH682 |
| A | HOH714 |
| A | HOH716 |
| A | HOH742 |
| A | HOH789 |
| B | ALA250 |
| B | VAL251 |
| B | SER252 |
| B | HOH624 |
| A | SER27 |
| A | GLN28 |
| A | LEU47 |
| A | ARG49 |
| A | SER53 |
| A | VAL81 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | ASP191 |
| A | GLU195 |
| A | 40E404 |
| A | HOH597 |
| A | HOH598 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue MG A 403 |
| Chain | Residue |
| A | ASP191 |
| A | 40E404 |
| A | HOH595 |
| B | HOH598 |
| B | HOH676 |
| B | HOH747 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | binding site for residue 40E A 404 |
| Chain | Residue |
| A | PRO133 |
| A | ASP191 |
| A | GLU195 |
| A | NDP401 |
| A | MG402 |
| A | MG403 |
| A | HOH597 |
| A | HOH598 |
| B | GLU231 |
| B | VAL251 |
| B | SER252 |
| B | ALA255 |
| B | HOH676 |
| B | HOH747 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue EPE A 405 |
| Chain | Residue |
| A | TYR66 |
| A | LYS68 |
| A | ASP69 |
| A | HOH504 |
| A | HOH510 |
| A | HOH655 |
| B | ARG319 |
| B | LYS320 |
| B | GLU323 |
| B | HOH535 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 406 |
| Chain | Residue |
| A | ASP7 |
| A | LEU12 |
| A | SER39 |
| A | LYS170 |
| A | ARG176 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 407 |
| Chain | Residue |
| A | MET84 |
| A | ILE116 |
| A | TYR295 |
| A | GLU296 |
| A | HOH568 |
| A | HOH605 |
| A | HOH614 |
| A | HOH699 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 408 |
| Chain | Residue |
| A | PHE114 |
| A | GLY285 |
| A | ARG289 |
| A | HOH545 |
| A | HOH685 |
| site_id | AC9 |
| Number of Residues | 40 |
| Details | binding site for residue NDP B 401 |
| Chain | Residue |
| B | GLY26 |
| B | SER27 |
| B | GLN28 |
| B | LEU47 |
| B | GLU48 |
| B | ARG49 |
| B | SER53 |
| B | VAL81 |
| B | PRO82 |
| B | ASP83 |
| B | VAL85 |
| B | GLN86 |
| B | ALA107 |
| B | HIS108 |
| B | SER132 |
| B | PRO133 |
| B | GLY134 |
| B | 40E404 |
| B | HOH529 |
| B | HOH548 |
| B | HOH549 |
| B | HOH600 |
| B | HOH609 |
| B | HOH611 |
| B | HOH620 |
| B | HOH638 |
| B | HOH655 |
| B | HOH666 |
| B | HOH679 |
| B | HOH712 |
| B | HOH722 |
| B | HOH748 |
| B | HOH749 |
| A | ALA250 |
| A | VAL251 |
| A | SER252 |
| A | HOH502 |
| A | HOH668 |
| B | GLY24 |
| B | TYR25 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue MG B 402 |
| Chain | Residue |
| A | HOH599 |
| A | HOH673 |
| A | HOH740 |
| B | ASP191 |
| B | 40E404 |
| B | HOH602 |
| site_id | AD2 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 403 |
| Chain | Residue |
| B | ASP191 |
| B | GLU195 |
| B | 40E404 |
| B | HOH599 |
| B | HOH600 |
| site_id | AD3 |
| Number of Residues | 14 |
| Details | binding site for residue 40E B 404 |
| Chain | Residue |
| A | GLU231 |
| A | VAL251 |
| A | SER252 |
| A | ALA255 |
| A | HOH673 |
| A | HOH740 |
| B | PRO133 |
| B | ASP191 |
| B | GLU195 |
| B | NDP401 |
| B | MG402 |
| B | MG403 |
| B | HOH599 |
| B | HOH600 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue EPE B 405 |
| Chain | Residue |
| A | ARG319 |
| A | LYS320 |
| A | HOH518 |
| B | TYR66 |
| B | LYS68 |
| B | ASP69 |
| B | HOH515 |
| B | HOH517 |
| B | HOH654 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 406 |
| Chain | Residue |
| B | ASP7 |
| B | LEU12 |
| B | SER39 |
| B | LYS170 |
| B | ARG176 |
| B | HOH531 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 407 |
| Chain | Residue |
| B | MET84 |
| B | ILE116 |
| B | TYR295 |
| B | GLU296 |
| B | HOH617 |
| B | HOH662 |
| B | HOH731 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_00435 |
| Chain | Residue | Details |
| A | HIS108 | |
| B | HIS108 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00435, ECO:0000269|PubMed:25849365, ECO:0007744|PDB:4XDZ, ECO:0007744|PDB:5E4R |
| Chain | Residue | Details |
| A | TYR25 | |
| A | SER53 | |
| A | ASP83 | |
| A | GLY134 | |
| B | TYR25 | |
| B | SER53 | |
| B | ASP83 | |
| B | GLY134 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:25849365, ECO:0007744|PDB:4XDZ, ECO:0007744|PDB:5E4R |
| Chain | Residue | Details |
| A | ARG49 | |
| B | ARG49 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00435 |
| Chain | Residue | Details |
| A | ASP191 | |
| A | GLU227 | |
| A | GLU231 | |
| A | SER252 | |
| B | ASP191 | |
| B | GLU227 | |
| B | GLU231 | |
| B | SER252 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00435, ECO:0000269|PubMed:25849365 |
| Chain | Residue | Details |
| A | GLU195 | |
| B | GLU195 |
