4PD4
Structural analysis of atovaquone-inhibited cytochrome bc1 complex reveals the molecular basis of antimalarial drug action
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004222 | molecular_function | metalloendopeptidase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005743 | cellular_component | mitochondrial inner membrane |
| A | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| A | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| A | 0006627 | biological_process | protein processing involved in protein targeting to mitochondrion |
| A | 0008121 | molecular_function | ubiquinol-cytochrome-c reductase activity |
| A | 0009060 | biological_process | aerobic respiration |
| A | 0016020 | cellular_component | membrane |
| A | 0045333 | biological_process | cellular respiration |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070469 | cellular_component | respirasome |
| A | 1902600 | biological_process | proton transmembrane transport |
| B | 0004222 | molecular_function | metalloendopeptidase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005743 | cellular_component | mitochondrial inner membrane |
| B | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| B | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| B | 0006508 | biological_process | proteolysis |
| B | 0008121 | molecular_function | ubiquinol-cytochrome-c reductase activity |
| B | 0009060 | biological_process | aerobic respiration |
| B | 0016020 | cellular_component | membrane |
| B | 0030061 | cellular_component | mitochondrial crista |
| B | 0045333 | biological_process | cellular respiration |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0070469 | cellular_component | respirasome |
| B | 1902600 | biological_process | proton transmembrane transport |
| C | 0005739 | cellular_component | mitochondrion |
| C | 0005743 | cellular_component | mitochondrial inner membrane |
| C | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| C | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| C | 0008121 | molecular_function | ubiquinol-cytochrome-c reductase activity |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0009060 | biological_process | aerobic respiration |
| C | 0016020 | cellular_component | membrane |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0022904 | biological_process | respiratory electron transport chain |
| C | 0045275 | cellular_component | respiratory chain complex III |
| C | 0045333 | biological_process | cellular respiration |
| C | 0046872 | molecular_function | metal ion binding |
| C | 0070469 | cellular_component | respirasome |
| C | 1902600 | biological_process | proton transmembrane transport |
| D | 0009055 | molecular_function | electron transfer activity |
| D | 0020037 | molecular_function | heme binding |
| E | 0008121 | molecular_function | ubiquinol-cytochrome-c reductase activity |
| E | 0016020 | cellular_component | membrane |
| E | 0051537 | molecular_function | 2 iron, 2 sulfur cluster binding |
| G | 0005739 | cellular_component | mitochondrion |
| G | 0005743 | cellular_component | mitochondrial inner membrane |
| G | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| G | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| G | 0008121 | molecular_function | ubiquinol-cytochrome-c reductase activity |
| G | 0009060 | biological_process | aerobic respiration |
| G | 0016020 | cellular_component | membrane |
| G | 0034551 | biological_process | mitochondrial respiratory chain complex III assembly |
| G | 0045333 | biological_process | cellular respiration |
| G | 0070469 | cellular_component | respirasome |
| G | 0099617 | cellular_component | matrix side of mitochondrial inner membrane |
| G | 1902600 | biological_process | proton transmembrane transport |
| H | 0005739 | cellular_component | mitochondrion |
| H | 0005743 | cellular_component | mitochondrial inner membrane |
| H | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| H | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| H | 0009060 | biological_process | aerobic respiration |
| H | 0016020 | cellular_component | membrane |
| H | 0045333 | biological_process | cellular respiration |
| H | 0070469 | cellular_component | respirasome |
| I | 0005750 | cellular_component | mitochondrial respiratory chain complex III |
| I | 0006122 | biological_process | mitochondrial electron transport, ubiquinol to cytochrome c |
| J | 0002250 | biological_process | adaptive immune response |
| J | 0002376 | biological_process | immune system process |
| J | 0003823 | molecular_function | antigen binding |
| J | 0016064 | biological_process | immunoglobulin mediated immune response |
| J | 0019814 | cellular_component | immunoglobulin complex |
| J | 0072562 | cellular_component | blood microparticle |
| K | 0002250 | biological_process | adaptive immune response |
| K | 0002376 | biological_process | immune system process |
| K | 0005615 | cellular_component | extracellular space |
| K | 0006955 | biological_process | immune response |
| K | 0019814 | cellular_component | immunoglobulin complex |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue UMQ A 501 |
| Chain | Residue |
| A | TRP427 |
| I | ASN14 |
| I | ALA15 |
| I | VAL16 |
| I | PHE17 |
| I | VAL18 |
| A | ASP428 |
| A | SER453 |
| A | MET454 |
| A | MET455 |
| A | ARG456 |
| A | 3PH502 |
| E | TYR57 |
| E | SER68 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue 3PH A 502 |
| Chain | Residue |
| A | SER450 |
| A | UMQ501 |
| C | HIS222 |
| C | ILE226 |
| E | SER67 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | binding site for residue HEM C 4001 |
| Chain | Residue |
| C | GLN43 |
| C | ILE44 |
| C | GLY47 |
| C | ILE48 |
| C | MET50 |
| C | ALA51 |
| C | ARG79 |
| C | HIS82 |
| C | ALA83 |
| C | THR127 |
| C | ALA128 |
| C | GLY131 |
| C | TYR132 |
| C | VAL135 |
| C | PHE180 |
| C | HIS183 |
| C | TYR184 |
| C | PRO187 |
| site_id | AC4 |
| Number of Residues | 18 |
| Details | binding site for residue HEM C 4002 |
| Chain | Residue |
| C | TRP30 |
| C | GLY33 |
| C | SER34 |
| C | LEU36 |
| C | HIS96 |
| C | MET97 |
| C | LYS99 |
| C | SER105 |
| C | LEU113 |
| C | TRP114 |
| C | GLY117 |
| C | VAL118 |
| C | ILE120 |
| C | VAL194 |
| C | HIS197 |
| C | LEU201 |
| C | SER206 |
| C | SER207 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | binding site for residue AOQ C 4003 |
| Chain | Residue |
| C | PHE129 |
| C | MET139 |
| C | GLY143 |
| C | VAL146 |
| C | ILE147 |
| C | ILE269 |
| C | PRO271 |
| C | LEU275 |
| C | TYR279 |
| C | ILE299 |
| E | HIS181 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue 3PE C 4004 |
| Chain | Residue |
| C | PHE3 |
| C | ASN7 |
| C | TYR9 |
| C | LEU10 |
| C | THR112 |
| C | ASN115 |
| C | VAL116 |
| C | HIS204 |
| site_id | AC7 |
| Number of Residues | 11 |
| Details | binding site for residue UQ6 C 4005 |
| Chain | Residue |
| C | TYR16 |
| C | GLN22 |
| C | SER34 |
| C | ILE48 |
| C | LEU182 |
| C | LEU185 |
| C | ALA191 |
| C | LEU201 |
| C | SER206 |
| C | MET221 |
| C | ASP229 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | binding site for residue 3PH C 4006 |
| Chain | Residue |
| C | TRP29 |
| C | MET95 |
| C | MET97 |
| C | ALA98 |
| C | TYR102 |
| C | TYR103 |
| C | LEU302 |
| C | THR317 |
| C | PHE333 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | binding site for residue HEM D 401 |
| Chain | Residue |
| D | ALA172 |
| D | PRO175 |
| D | ILE180 |
| D | ARG184 |
| D | TYR190 |
| D | ILE191 |
| D | LEU195 |
| D | PHE218 |
| D | MET225 |
| D | VAL228 |
| D | VAL251 |
| D | VAL100 |
| D | CYS101 |
| D | CYS104 |
| D | HIS105 |
| D | ASN169 |
| site_id | AD1 |
| Number of Residues | 7 |
| Details | binding site for residue FES E 301 |
| Chain | Residue |
| E | CYS159 |
| E | HIS161 |
| E | LEU162 |
| E | CYS178 |
| E | CYS180 |
| E | HIS181 |
| E | SER183 |
| site_id | AD2 |
| Number of Residues | 11 |
| Details | binding site for residue 3PH E 302 |
| Chain | Residue |
| C | ILE42 |
| C | MET237 |
| D | LEU269 |
| D | LYS272 |
| D | THR273 |
| D | ILE276 |
| E | GLY70 |
| E | ALA71 |
| E | SER73 |
| E | THR74 |
| E | THR77 |
Functional Information from PROSITE/UniProt
| site_id | PS00143 |
| Number of Residues | 23 |
| Details | INSULINASE Insulinase family, zinc-binding region signature. Ggsryatkd.GvAHLLNRFnFqNT |
| Chain | Residue | Details |
| B | GLY37-THR59 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 15 |
| Details | TOPO_DOM: Mitochondrial matrix => ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554 |
| Chain | Residue | Details |
| I | SER2-PHE17 | |
| C | TYR103-ARG110 | |
| C | GLY205-SER223 | |
| C | ASP309-LYS319 | |
| C | ILE365-LYS385 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 25 |
| Details | TRANSMEM: Helical => ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554 |
| Chain | Residue | Details |
| I | VAL18-HIS43 | |
| C | GLY75-TYR102 | |
| C | VAL111-VAL135 | |
| C | ASN173-HIS204 | |
| C | TYR224-TYR246 | |
| C | LYS288-THR308 | |
| C | VAL320-GLY340 | |
| C | TYR348-LEU364 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 13 |
| Details | TOPO_DOM: Mitochondrial intermembrane => ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554 |
| Chain | Residue | Details |
| H | TYR81-VAL94 | |
| C | TYR136-SER172 | |
| C | SER247-ASP287 | |
| C | ALA341-PRO347 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10873857, ECO:0000269|PubMed:11880631, ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554, ECO:0007744|PDB:1EZV, ECO:0007744|PDB:1KB9, ECO:0007744|PDB:1KYO, ECO:0007744|PDB:1P84, ECO:0007744|PDB:2IBZ, ECO:0007744|PDB:3CX5, ECO:0007744|PDB:3CXH, ECO:0007744|PDB:4PD4 |
| Chain | Residue | Details |
| E | CYS178 | |
| E | HIS181 | |
| E | CYS159 | |
| E | HIS161 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:11880631, ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554, ECO:0007744|PDB:1KYO |
| Chain | Residue | Details |
| C | HIS183 | |
| C | HIS197 | |
| D | HIS105 | |
| C | HIS96 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | BINDING: axial binding residue => ECO:0000269|PubMed:10873857, ECO:0000269|PubMed:11880631, ECO:0000269|PubMed:18390544, ECO:0000269|PubMed:30598554, ECO:0007744|PDB:1EZV, ECO:0007744|PDB:1KYO |
| Chain | Residue | Details |
| D | MET225 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 1 |
| Details | M-CSA 208 |
| Chain | Residue | Details |
| E | HIS181 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, radical stabiliser |
| C | SER206 | electrostatic stabiliser, hydrogen bond donor, radical stabiliser |
| C | LYS228 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, radical stabiliser |
| C | ASP229 | electrostatic stabiliser, hydrogen bond acceptor, radical stabiliser |
| C | GLU272 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor, radical stabiliser |
