6Q4R
High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Endoplasmic reticulum aminopeptidase 1,Endoplasmic reticulum aminopeptidase 1 | polymer | 912 | 103961.8 | 1 | UniProt (Q9NZ08) Pfam (PF17900) Pfam (PF01433) Pfam (PF11838) | Homo sapiens (Human) | ARTS-1,Adipocyte-derived leucine aminopeptidase,A-LAP,Aminopeptidase PILS,Puromycin-insensitive leucyl-specific aminopeptidase,PILS-AP,Type 1 tumor necrosis factor receptor shedding aminopeptidase regulator,ARTS-1,Adipocyte-derived leucine aminopeptidase,A-LAP,Aminopeptidase PILS,Puromycin-insensitive leucyl-specific aminopeptidase,PILS-AP,Type 1 tumor necrosis factor receptor shedding aminopeptidase regulator |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C (C) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 4 | D, E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 5 | F (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 6 | G (A) | [(1~{R})-1-[[(2~{S})-2-[[(2~{S})-1-azaniumyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]pent-4-ynyl]-oxidanyl-phosphoryl]-3-phenyl-propyl]azanium | non-polymer | 457.5 | 1 | Chemie (HJ5) | |||
| 7 | H (A) | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 282.3 | 1 | Chemie (B3P) | |||
| 8 | AA, BA, CA, DA, EA... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 30 | Chemie (EDO) | |||
| 9 | MA (A) | D-MALATE | non-polymer | 134.1 | 1 | Chemie (MLT) | |||
| 10 | NA (A) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 11 | OA (A) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 12 | PA, QA, RA (A) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 13 | SA (A) | water | water | 18.0 | 814 | Chemie (HOH) |
Sequence modifications
A: 1 - 485 (UniProt: Q9NZ08)
A: 514 - 937 (UniProt: Q9NZ08)
A: 514 - 937 (UniProt: Q9NZ08)
| PDB | External Database | Details |
|---|---|---|
| Gly 511 | - | linker |
| Ser 512 | - | linker |
| Gly 513 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 103961.8 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 41 |
| Total formula weight | 3789.3 | |
| All* | Total formula weight | 108762.0 |
