2I47
Crystal structure of catalytic domain of TACE with inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004222 | molecular_function | metalloendopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| A | 0008237 | molecular_function | metallopeptidase activity |
| B | 0004222 | molecular_function | metalloendopeptidase activity |
| B | 0006508 | biological_process | proteolysis |
| B | 0008237 | molecular_function | metallopeptidase activity |
| C | 0004222 | molecular_function | metalloendopeptidase activity |
| C | 0006508 | biological_process | proteolysis |
| C | 0008237 | molecular_function | metallopeptidase activity |
| D | 0004222 | molecular_function | metalloendopeptidase activity |
| D | 0006508 | biological_process | proteolysis |
| D | 0008237 | molecular_function | metallopeptidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 801 |
| Chain | Residue |
| B | HIS405 |
| B | HIS409 |
| B | HIS415 |
| B | INN902 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 802 |
| Chain | Residue |
| A | HIS405 |
| A | HIS409 |
| A | HIS415 |
| A | INN901 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 803 |
| Chain | Residue |
| D | HIS409 |
| D | HIS415 |
| D | KGY1002 |
| D | HIS405 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 804 |
| Chain | Residue |
| C | HIS405 |
| C | HIS409 |
| C | HIS415 |
| C | KGY1001 |
| site_id | AC5 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE INN A 901 |
| Chain | Residue |
| A | MET345 |
| A | GLY346 |
| A | THR347 |
| A | LEU348 |
| A | GLY349 |
| A | ASN389 |
| A | TYR390 |
| A | HIS405 |
| A | GLU406 |
| A | HIS409 |
| A | HIS415 |
| A | PRO437 |
| A | ILE438 |
| A | ALA439 |
| A | ZN802 |
| A | HOH927 |
| A | HOH958 |
| A | HOH987 |
| A | HOH1098 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE INN B 902 |
| Chain | Residue |
| B | MET345 |
| B | GLY346 |
| B | THR347 |
| B | LEU348 |
| B | GLY349 |
| B | ASN389 |
| B | TYR390 |
| B | HIS405 |
| B | GLU406 |
| B | HIS409 |
| B | HIS415 |
| B | PRO437 |
| B | ILE438 |
| B | ALA439 |
| B | ZN801 |
| B | HOH923 |
| B | HOH926 |
| site_id | AC7 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE KGY C 1001 |
| Chain | Residue |
| C | VAL314 |
| C | GLY346 |
| C | THR347 |
| C | LEU348 |
| C | GLY349 |
| C | LEU350 |
| C | GLU398 |
| C | LEU401 |
| C | VAL402 |
| C | HIS405 |
| C | GLU406 |
| C | HIS409 |
| C | HIS415 |
| C | PRO437 |
| C | ALA439 |
| C | VAL440 |
| C | ZN804 |
| C | HOH1008 |
| C | HOH1025 |
| C | HOH1144 |
| site_id | AC8 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE KGY D 1002 |
| Chain | Residue |
| D | VAL314 |
| D | THR347 |
| D | LEU348 |
| D | GLY349 |
| D | LEU350 |
| D | GLU398 |
| D | LEU401 |
| D | VAL402 |
| D | HIS405 |
| D | GLU406 |
| D | HIS409 |
| D | HIS415 |
| D | PRO437 |
| D | ALA439 |
| D | VAL440 |
| D | ZN803 |
| D | HOH1012 |
| D | HOH1049 |
Functional Information from PROSITE/UniProt
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VTTHELGHNF |
| Chain | Residue | Details |
| A | VAL402-PHE411 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1004 |
| Details | Domain: {"description":"Peptidase M12B","evidences":[{"source":"PROSITE-ProRule","id":"PRU00276","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00276","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9520379","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"9520379","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
