6C5N
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase with hydroxyoxamate inhibitor 1
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 | 42 |
| Details | binding site for residue NDP A 401 |
| Chain | Residue |
| A | TYR25 |
| A | PRO81 |
| A | ASP82 |
| A | ILE84 |
| A | GLN85 |
| A | VAL88 |
| A | ALA106 |
| A | HIS107 |
| A | PRO129 |
| A | GLY131 |
| A | PRO132 |
| A | GLY26 |
| A | GLY133 |
| A | EN4404 |
| A | 81B405 |
| A | HOH511 |
| A | HOH529 |
| A | HOH534 |
| A | HOH539 |
| A | HOH573 |
| A | HOH588 |
| A | HOH613 |
| A | SER27 |
| A | HOH629 |
| A | HOH634 |
| A | HOH657 |
| A | HOH659 |
| A | HOH673 |
| A | HOH674 |
| A | HOH697 |
| A | HOH706 |
| A | HOH717 |
| A | HOH746 |
| A | GLN28 |
| B | SER249 |
| B | ILE250 |
| B | SER251 |
| A | ILE47 |
| A | ARG48 |
| A | SER52 |
| A | LEU79 |
| A | LEU80 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue MG A 402 |
| Chain | Residue |
| A | ASP190 |
| A | GLU194 |
| A | MG403 |
| A | EN4404 |
| A | 81B405 |
| A | HOH557 |
| A | HOH706 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue MG A 403 |
| Chain | Residue |
| A | ASP190 |
| A | MG402 |
| A | EN4404 |
| A | 81B405 |
| A | HOH501 |
| A | HOH595 |
| B | HOH549 |
| B | HOH597 |
| site_id | AC4 |
| Number of Residues | 17 |
| Details | binding site for residue EN4 A 404 |
| Chain | Residue |
| A | PRO132 |
| A | ASP190 |
| A | GLU194 |
| A | CYS199 |
| A | NDP401 |
| A | MG402 |
| A | MG403 |
| A | 81B405 |
| A | HOH501 |
| A | HOH557 |
| A | HOH595 |
| A | HOH706 |
| B | GLU230 |
| B | ILE250 |
| B | SER251 |
| B | ALA254 |
| B | HOH597 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | binding site for residue 81B A 405 |
| Chain | Residue |
| A | PRO132 |
| A | ASP190 |
| A | GLU194 |
| A | CYS199 |
| A | NDP401 |
| A | MG402 |
| A | MG403 |
| A | EN4404 |
| A | HOH501 |
| A | HOH557 |
| A | HOH595 |
| A | HOH706 |
| B | GLU230 |
| B | ILE250 |
| B | SER251 |
| B | ALA254 |
| B | HOH597 |
| site_id | AC6 |
| Number of Residues | 16 |
| Details | binding site for residue EN4 B 401 |
| Chain | Residue |
| B | 81B402 |
| B | NDP403 |
| B | MG404 |
| B | MG405 |
| B | HOH501 |
| B | HOH519 |
| B | HOH571 |
| B | HOH697 |
| A | GLU230 |
| A | ILE250 |
| A | SER251 |
| A | ALA254 |
| B | PRO132 |
| B | ASP190 |
| B | GLU194 |
| B | CYS199 |
| site_id | AC7 |
| Number of Residues | 18 |
| Details | binding site for residue 81B B 402 |
| Chain | Residue |
| A | GLU230 |
| A | ILE234 |
| A | ILE250 |
| A | SER251 |
| A | ALA254 |
| B | PRO132 |
| B | ASP190 |
| B | GLU194 |
| B | CYS199 |
| B | EN4401 |
| B | NDP403 |
| B | MG404 |
| B | MG405 |
| B | HOH501 |
| B | HOH519 |
| B | HOH571 |
| B | HOH575 |
| B | HOH697 |
| site_id | AC8 |
| Number of Residues | 41 |
| Details | binding site for residue NDP B 403 |
| Chain | Residue |
| A | SER249 |
| A | ILE250 |
| A | SER251 |
| A | HOH567 |
| B | TYR25 |
| B | GLY26 |
| B | SER27 |
| B | GLN28 |
| B | ILE47 |
| B | ARG48 |
| B | SER52 |
| B | LEU79 |
| B | LEU80 |
| B | PRO81 |
| B | ASP82 |
| B | ILE84 |
| B | GLN85 |
| B | ALA106 |
| B | HIS107 |
| B | PRO129 |
| B | GLY131 |
| B | PRO132 |
| B | GLY133 |
| B | EN4401 |
| B | 81B402 |
| B | HOH520 |
| B | HOH582 |
| B | HOH592 |
| B | HOH601 |
| B | HOH603 |
| B | HOH617 |
| B | HOH624 |
| B | HOH666 |
| B | HOH676 |
| B | HOH678 |
| B | HOH697 |
| B | HOH710 |
| B | HOH718 |
| B | HOH728 |
| B | HOH744 |
| B | HOH778 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue MG B 404 |
| Chain | Residue |
| A | HOH527 |
| B | ASP190 |
| B | EN4401 |
| B | 81B402 |
| B | MG405 |
| B | HOH501 |
| B | HOH519 |
| B | HOH575 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue MG B 405 |
| Chain | Residue |
| B | ASP190 |
| B | GLU194 |
| B | EN4401 |
| B | 81B402 |
| B | MG404 |
| B | HOH571 |
| B | HOH697 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue IMD B 406 |
| Chain | Residue |
| B | ASP82 |
| B | GLU83 |
| B | PHE109 |
| B | ASN110 |
| B | PHE290 |
| B | ILE291 |
| B | HOH648 |
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 | HIS107 | |
| B | HIS107 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00435 |
| Chain | Residue | Details |
| A | TYR25 | |
| A | SER251 | |
| B | TYR25 | |
| B | ARG48 | |
| B | SER52 | |
| B | ASP82 | |
| B | GLY133 | |
| B | ASP190 | |
| B | GLU194 | |
| B | GLU226 | |
| B | GLU230 | |
| A | ARG48 | |
| B | SER251 | |
| A | SER52 | |
| A | ASP82 | |
| A | GLY133 | |
| A | ASP190 | |
| A | GLU194 | |
| A | GLU226 | |
| A | GLU230 |
