3Q2G
Adamts1 in complex with a novel N-hydroxyformamide inhibitors
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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE QGF A 1 |
| Chain | Residue |
| A | THR117 |
| A | HIS153 |
| A | HIS159 |
| A | SER180 |
| A | LEU182 |
| A | PHE274 |
| A | ZN401 |
| A | LEU118 |
| A | GLY119 |
| A | ALA121 |
| A | VAL123 |
| A | PHE145 |
| A | THR146 |
| A | HIS149 |
| A | GLU150 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 401 |
| Chain | Residue |
| A | QGF1 |
| A | HIS149 |
| A | HIS153 |
| A | HIS159 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CD A 501 |
| Chain | Residue |
| A | GLU9 |
| A | ASP92 |
| A | ASP213 |
| A | HOH344 |
| A | HOH362 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CD A 502 |
| Chain | Residue |
| A | GLU63 |
| A | GLU68 |
| A | NI609 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NI A 504 |
| Chain | Residue |
| A | HIS28 |
| B | ASP231 |
| B | HOH342 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CD A 601 |
| Chain | Residue |
| A | GLU9 |
| A | ASP92 |
| A | ASP99 |
| A | CYS210 |
| A | ASP213 |
| A | HOH352 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CD A 602 |
| Chain | Residue |
| A | ASP231 |
| A | HOH361 |
| B | HIS28 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI A 607 |
| Chain | Residue |
| A | HIS61 |
| A | HOH359 |
| A | HOH360 |
| B | GLU242 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NI A 609 |
| Chain | Residue |
| A | GLU63 |
| A | GLU68 |
| A | CD502 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI A 611 |
| Chain | Residue |
| A | HIS176 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NI A 612 |
| Chain | Residue |
| A | GLU242 |
| A | ASP243 |
| B | HIS61 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI A 613 |
| Chain | Residue |
| A | HIS246 |
| site_id | BC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI A 615 |
| Chain | Residue |
| A | HIS273 |
| B | LEU267 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A 621 |
| Chain | Residue |
| A | HIS187 |
| A | ASP278 |
| A | ASN290 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NA A 701 |
| Chain | Residue |
| A | ASP108 |
| A | LEU109 |
| A | CYS115 |
| A | THR117 |
| A | GLU137 |
| A | HOH373 |
| A | HOH374 |
| site_id | BC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE QGF B 2 |
| Chain | Residue |
| B | LEU118 |
| B | GLY119 |
| B | MET120 |
| B | VAL123 |
| B | GLN142 |
| B | PHE145 |
| B | THR146 |
| B | HIS149 |
| B | GLU150 |
| B | HIS153 |
| B | HIS159 |
| B | SER180 |
| B | LEU182 |
| B | ZN402 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 402 |
| Chain | Residue |
| B | QGF2 |
| B | HIS149 |
| B | HIS153 |
| B | HIS159 |
| site_id | BC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI B 503 |
| Chain | Residue |
| A | GLU242 |
| A | HOH364 |
| B | HIS61 |
| B | HOH341 |
| site_id | CC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NI B 604 |
| Chain | Residue |
| A | HIS61 |
| A | HOH345 |
| B | GLU242 |
| B | ASP243 |
| site_id | CC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CD B 605 |
| Chain | Residue |
| B | GLU9 |
| B | ASP92 |
| B | ASP213 |
| site_id | CC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NI B 606 |
| Chain | Residue |
| B | GLU9 |
| B | ASP92 |
| B | ASP99 |
| B | CYS210 |
| B | ASP213 |
| B | HOH303 |
| site_id | CC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE NI B 617 |
| Chain | Residue |
| B | HOH311 |
| B | HIS176 |
| site_id | CC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI B 618 |
| Chain | Residue |
| B | HIS207 |
| site_id | CC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI B 619 |
| Chain | Residue |
| B | HIS246 |
| site_id | CC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI B 505 |
| Chain | Residue |
| B | HIS187 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGeDSKHCPD |
| Chain | Residue | Details |
| A | PHE240-ASP249 |
| site_id | PS00142 |
| Number of Residues | 10 |
| Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. TTAHELGHVF |
| Chain | Residue | Details |
| A | THR146-PHE155 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00276","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"17897672","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17897672","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
