8P1G
Crystal structure of inactive TtCE16 in complex with acetate
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Carbohydrate esterase family 16 protein | polymer | 353 | 39487.9 | 1 | UniProt (G2QL32) Pfam (PF00657) | Thermothelomyces thermophilus | |
| 2 | B (A) | 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) | 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) | |||
| 4 | D (B) | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 282.3 | 1 | Chemie (B3P) | |||
| 5 | E, Q, V, W (B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 6 | F, H, Z (B) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 7 | AA, G, I, J, K... (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 14 | Chemie (EDO) | |||
| 8 | L (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 9 | X (B) | TETRAETHYLENE GLYCOL | non-polymer | 194.2 | 1 | Chemie (PG4) | |||
| 10 | BA (B) | water | water | 18.0 | 275 | Chemie (HOH) |
Sequence modifications
B: 3 - 330 (UniProt: G2QL32)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Ile 2 | - | expression tag |
| Ala 19 | Ser 32 | engineered mutation |
| Arg 331 | - | expression tag |
| Leu 332 | - | expression tag |
| Glu 333 | - | expression tag |
| Gln 334 | - | expression tag |
| Lys 335 | - | expression tag |
| Leu 336 | - | expression tag |
| Ile 337 | - | expression tag |
| Ser 338 | - | expression tag |
| Glu 339 | - | expression tag |
| Glu 340 | - | expression tag |
| Asp 341 | - | expression tag |
| Leu 342 | - | expression tag |
| Asn 343 | - | expression tag |
| Ser 344 | - | expression tag |
| Ala 345 | - | expression tag |
| Val 346 | - | expression tag |
| Asp 347 | - | expression tag |
| His 348 | - | expression tag |
| His 349 | - | expression tag |
| His 350 | - | expression tag |
| His 351 | - | expression tag |
| His 352 | - | expression tag |
| His 353 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 39487.9 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1497.4 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 2168.3 | |
| All* | Total formula weight | 43153.6 |
