6I6R
New Irreversible a-l-Iduronidase Inhibitors and Activity-Based Probes
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Alpha-L-iduronidase | polymer | 627 | 70053.3 | 2 | UniProt (P35475) Pfam (PF01229) Pfam (PF21200) | Homo sapiens (Human) | |
| 2 | C, D (C, D) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G15407YE) | |||
| 3 | E, L (A, B) | (1~{R},2~{R},3~{R},4~{S},6~{S})-6-azanyl-2,3,4-tris(oxidanyl)cyclohexane-1-carboxylic acid | non-polymer | 191.2 | 2 | Chemie (H62) | |||
| 4 | F, G, M, N (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 4 | Chemie (NAG) | |||
| 5 | H, I, O (A, B) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 6 | J (A) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 7 | K, P (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 243 | Chemie (HOH) |
Sequence modifications
A, B: 27 - 653 (UniProt: P35475)
| PDB | External Database | Details |
|---|---|---|
| Gln 33 | His 33 | conflict |
| Pro 63 | Gln 63 | conflict |
| Gln 105 | Arg 105 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 140106.6 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1173.1 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1764.5 | |
| All* | Total formula weight | 143044.2 |
