6I6X
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 (A) | Alpha-L-iduronidase | polymer | 627 | 70082.4 | 1 | UniProt (P35475) Pfam (PF01229) Pfam (PF21200) | Homo sapiens (Human) | |
| 2 | B (B) | Alpha-L-iduronidase | polymer | 627 | 70053.3 | 1 | UniProt (P35475) Pfam (PF01229) Pfam (PF21200) | Homo sapiens (Human) | |
| 3 | C, E (C, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 4 | D (D) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 5 | F (F) | alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1073.0 | 1 | In PDB GlyTouCan (G09724ZC) | |||
| 6 | G, R (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 7 | H, S (A, B) | (1~{R},2~{R},3~{R},4~{S},5~{S},6~{R})-7-methyl-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid | non-polymer | 203.2 | 2 | Chemie (H6B) | |||
| 8 | I, J, K, L, M... (A, B) | GLYCEROL | non-polymer | 92.1 | 9 | Chemie (GOL) | |||
| 9 | P, V (A, B) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 2 | Chemie (TLA) | |||
| 10 | Q, W (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 11 | X, Y (A, B) | water | water | 18.0 | 294 | Chemie (HOH) |
Sequence modifications
A: 27 - 653 (UniProt: P35475)
B: 27 - 653 (UniProt: P35475)
| PDB | External Database | Details |
|---|---|---|
| Gln 33 | His 33 | conflict |
| Pro 63 | Gln 63 | conflict |
| 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 | 140135.7 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2832.6 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 2048.7 | |
| All* | Total formula weight | 145017.0 |
