7PR7
Crystal structure of human heparanase in complex with covalent inhibitor VL166
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Heparanase 50 kDa subunit | polymer | 385 | 43334.9 | 1 | UniProt (Q9Y251) Pfam (PF03662) | Homo sapiens (Human) | |
| 2 | B (B) | Heparanase 8 kDa subunit | polymer | 74 | 8273.5 | 1 | UniProt (Q9Y251) | Homo sapiens (Human) | |
| 3 | C (C) | alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 367.3 | 1 | In PDB GlyTouCan (G86851RC) | |||
| 4 | D (D) | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid | branched | 411.4 | 1 | In PDB | |||
| 5 | E, F, G (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 6 | H, I, J, K, L... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
| 7 | O (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 8 | P, Q (A, B) | water | water | 18.0 | 324 | Chemie (HOH) |
Sequence modifications
A: 160 - 543 (UniProt: Q9Y251)
| PDB | External Database | Details |
|---|---|---|
| Lys 159 | - | expression tag |
| Arg 307 | Lys 307 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51608.4 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 778.7 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1133.6 | |
| All* | Total formula weight | 53520.7 |
