4DV8
Anthrax Lethal Factor metalloproteinase in complex with the Hydroxamic acid based small molecule PT8421
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0008237 | molecular_function | metallopeptidase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 801 |
| Chain | Residue |
| A | HIS686 |
| A | HIS690 |
| A | GLU735 |
| A | 0LX802 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE 0LX A 802 |
| Chain | Residue |
| A | LEU658 |
| A | TYR659 |
| A | VAL660 |
| A | GLU676 |
| A | LEU677 |
| A | HIS686 |
| A | GLU687 |
| A | HIS690 |
| A | TYR728 |
| A | GLU735 |
| A | GLU739 |
| A | ZN801 |
| A | HOH905 |
| A | HOH1031 |
| A | HOH1389 |
| A | GLN642 |
| A | GLN646 |
| A | VAL653 |
| A | SER655 |
| A | GLY657 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MLI A 803 |
| Chain | Residue |
| A | ARG502 |
| A | ILE535 |
| A | ARG544 |
| A | HOH1053 |
| A | HOH1114 |
| A | HOH1455 |
| A | HOH1496 |
Functional Information from PROSITE/UniProt
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. GFIHEFGHAV |
| Chain | Residue | Details |
| A | GLY683-VAL692 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 18 |
| Details | Repeat: {"description":"1","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 15 |
| Details | Repeat: {"description":"2","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Repeat: {"description":"3","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 17 |
| Details | Repeat: {"description":"4","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 17 |
| Details | Repeat: {"description":"5","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 195 |
| Details | Domain: {"description":"ATLF-like 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU01339","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 101 |
| Details | Region: {"description":"5 X approximate repeats","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 80 |
| Details | Region: {"description":"III","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 163 |
| Details | Region: {"description":"IIB","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 224 |
| Details | Region: {"description":"IV","evidences":[{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU01339","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19651869","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9573135","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01339","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11700563","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14718924","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14718925","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15911756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22342144","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25372673","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26492514","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26578066","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1J7N","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PWP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PWQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PWU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PWW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YQY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DV8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PKW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4WF6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4XM7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D1S","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5D1T","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01339","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 641 |
| Chain | Residue | Details |
| A | HIS686 | metal ligand |
| A | GLU687 | proton acceptor, proton donor |
| A | HIS690 | metal ligand |
| A | TYR728 | electrostatic stabiliser |
| A | GLU735 | metal ligand |
