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 | CYS159 | |
E | HIS161 | |
E | CYS178 | |
E | HIS181 |
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 |
D | HIS105 | |
C | HIS96 | |
C | HIS183 | |
C | HIS197 |
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 |