4RPU
Crystal Structure of Human Presequence Protease in Complex with Inhibitor MitoBloCK-60
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004222 | molecular_function | metalloendopeptidase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006508 | biological_process | proteolysis |
| A | 0006626 | biological_process | protein targeting to mitochondrion |
| A | 0008047 | molecular_function | enzyme activator activity |
| A | 0008233 | molecular_function | peptidase activity |
| A | 0008237 | molecular_function | metallopeptidase activity |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0051603 | biological_process | proteolysis involved in protein catabolic process |
| B | 0004222 | molecular_function | metalloendopeptidase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006508 | biological_process | proteolysis |
| B | 0006626 | biological_process | protein targeting to mitochondrion |
| B | 0008047 | molecular_function | enzyme activator activity |
| B | 0008233 | molecular_function | peptidase activity |
| B | 0008237 | molecular_function | metallopeptidase activity |
| B | 0008270 | molecular_function | zinc ion binding |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0051603 | biological_process | proteolysis involved in protein catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1101 |
| Chain | Residue |
| A | HIS104 |
| A | HIS108 |
| A | GLU205 |
| A | ACT1117 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 3UE A 1102 |
| Chain | Residue |
| A | TYR450 |
| A | 3UE1103 |
| A | HOH1237 |
| A | HOH1274 |
| A | HOH1498 |
| A | HOH1514 |
| A | TYR380 |
| A | GLY382 |
| A | TYR383 |
| A | GLN435 |
| A | MET446 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 3UE A 1103 |
| Chain | Residue |
| A | THR340 |
| A | ALA343 |
| A | PHE344 |
| A | SER347 |
| A | TYR380 |
| A | GLY382 |
| A | LEU428 |
| A | MLY431 |
| A | ILE432 |
| A | TYR450 |
| A | LEU464 |
| A | 3UE1102 |
| A | GOL1104 |
| A | HOH1350 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 1104 |
| Chain | Residue |
| A | SER347 |
| A | SER350 |
| A | GLY379 |
| A | TYR380 |
| A | 3UE1103 |
| A | HOH1514 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1105 |
| Chain | Residue |
| A | PHE210 |
| A | HIS220 |
| A | TYR510 |
| A | HOH1374 |
| A | HOH1577 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1106 |
| Chain | Residue |
| A | GLN107 |
| A | HIS108 |
| A | LEU111 |
| A | PHE123 |
| A | ASN136 |
| A | GLU180 |
| A | ARG900 |
| A | HOH1573 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 1107 |
| Chain | Residue |
| A | ASP423 |
| A | ARG633 |
| A | HOH1495 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 1108 |
| Chain | Residue |
| A | ASP1031 |
| A | TRP1034 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1109 |
| Chain | Residue |
| A | GLY645 |
| A | SER647 |
| A | SER669 |
| A | SER670 |
| A | LEU671 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1110 |
| Chain | Residue |
| A | THR95 |
| A | MET97 |
| A | HIS257 |
| A | SER294 |
| A | HOH1364 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 1111 |
| Chain | Residue |
| A | ARG36 |
| A | TYR40 |
| A | HIS78 |
| A | ALA80 |
| A | GLY269 |
| A | PHE271 |
| A | PRO272 |
| A | LEU273 |
| site_id | BC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 1112 |
| Chain | Residue |
| A | HIS104 |
| A | GLN107 |
| A | PHE138 |
| A | THR139 |
| A | MET206 |
| A | ARG215 |
| A | ACT1117 |
| A | HOH1494 |
| A | HOH1532 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 1113 |
| Chain | Residue |
| A | LEU720 |
| A | TYR721 |
| A | ILE724 |
| A | SER741 |
| site_id | BC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 1114 |
| Chain | Residue |
| A | ASP575 |
| A | GLU793 |
| site_id | BC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 1115 |
| Chain | Residue |
| A | PHE61 |
| A | GLN439 |
| A | HOH1502 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT A 1116 |
| Chain | Residue |
| A | GLU214 |
| A | ASP373 |
| A | SER375 |
| A | VAL378 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT A 1117 |
| Chain | Residue |
| A | ZN1101 |
| A | GOL1112 |
| A | HOH1573 |
| A | HIS104 |
| A | GLN107 |
| A | HIS108 |
| A | ALA137 |
| A | GLU205 |
| A | TYR906 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1101 |
| Chain | Residue |
| B | HIS104 |
| B | HIS108 |
| B | GLU205 |
| B | ACT1115 |
| site_id | CC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 3UE B 1102 |
| Chain | Residue |
| B | TYR380 |
| B | GLY382 |
| B | TYR383 |
| B | ILE432 |
| B | GLN435 |
| B | MET446 |
| B | TYR450 |
| B | LEU467 |
| B | 3UE1103 |
| B | ACT1112 |
| B | HOH1227 |
| B | HOH1285 |
| B | HOH1452 |
| site_id | CC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 3UE B 1103 |
| Chain | Residue |
| B | THR340 |
| B | PHE344 |
| B | SER347 |
| B | TYR380 |
| B | LEU428 |
| B | MLY431 |
| B | TYR450 |
| B | LEU464 |
| B | 3UE1102 |
| B | GOL1105 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1104 |
| Chain | Residue |
| B | ILE216 |
| B | HIS220 |
| B | VAL234 |
| B | ASP238 |
| B | TYR510 |
| site_id | CC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1105 |
| Chain | Residue |
| B | SER347 |
| B | SER350 |
| B | GLY379 |
| B | TYR380 |
| B | 3UE1103 |
| site_id | CC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL B 1106 |
| Chain | Residue |
| B | GLN107 |
| B | HIS108 |
| B | PHE124 |
| B | ASN136 |
| B | ARG900 |
| B | ACT1115 |
| B | HOH1304 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 1107 |
| Chain | Residue |
| B | SER56 |
| B | GLU59 |
| B | MLY466 |
| B | ASN469 |
| B | HOH1530 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 1108 |
| Chain | Residue |
| B | SER717 |
| B | SER741 |
| B | HOH1389 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 1109 |
| Chain | Residue |
| B | HIS104 |
| B | GLN107 |
| B | PHE138 |
| B | THR139 |
| B | GLU205 |
| B | ARG215 |
| B | ACT1115 |
| B | HOH1323 |
| site_id | CC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL B 1110 |
| Chain | Residue |
| B | ALA33 |
| B | ARG36 |
| B | TYR40 |
| B | HIS78 |
| B | ALA80 |
| B | GLY269 |
| B | ASN270 |
| B | PHE271 |
| B | LEU273 |
| B | HOH1563 |
| site_id | DC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 1111 |
| Chain | Residue |
| A | GLN252 |
| A | THR256 |
| B | GLN524 |
| B | GLU527 |
| B | HOH1353 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT B 1112 |
| Chain | Residue |
| B | ASP377 |
| B | VAL378 |
| B | ASN381 |
| B | 3UE1102 |
| B | HOH1512 |
| site_id | DC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ACT B 1113 |
| Chain | Residue |
| B | GLU214 |
| B | ASP373 |
| B | GLU709 |
| B | HOH1272 |
| site_id | DC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT B 1114 |
| Chain | Residue |
| B | THR572 |
| B | ASP971 |
| B | GLY973 |
| B | MET974 |
| B | ASP975 |
| B | MLY986 |
| B | HOH1460 |
| site_id | DC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACT B 1115 |
| Chain | Residue |
| B | HIS104 |
| B | GLN107 |
| B | HIS108 |
| B | ALA137 |
| B | GLU205 |
| B | TYR906 |
| B | ZN1101 |
| B | GOL1106 |
| B | GOL1109 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA B 1116 |
| Chain | Residue |
| A | LEU629 |
| A | GLU634 |
| B | ASN690 |
| B | HOH1332 |
| B | HOH1333 |
| B | HOH1376 |
| site_id | DC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CA B 1117 |
| Chain | Residue |
| A | GLN682 |
| B | LEU629 |
| B | GLU634 |
| B | HOH1363 |
| B | HOH1380 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 60 |
| Details | Region: {"description":"Disordered","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | Compositional bias: {"description":"Basic residues","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"16849325","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"24931469","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"UniProtKB","id":"Q9LJL3","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"24931469","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4L3T","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4NGE","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q8K411","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"Q8K411","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"Q8K411","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
