3TOD
Crystal Structure of C-lobe of Bovine lactoferrin Complexed with 1-Butyl-1H-Pyrazole-5-carboxylic acid at 1.38 A Resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Lactotransferrin | polymer | 335 | 36622.3 | 1 | UniProt (P24627) Pfam (PF00405) | Bos taurus (bovine) | Lactoferrin, Lactoferricin-B, Lfcin-B |
| 2 | B (B) | peptide, LEACAF from Lactotransferrin | polymer | 6 | 652.8 | 1 | UniProt (P24627) | Bos taurus (bovine) | |
| 3 | C, D, E (C, D, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 3 | In PDB GlyTouCan (G42666HT) | |||
| 4 | F (A) | FE (III) ION | non-polymer | 55.8 | 1 | Chemie (FE) | |||
| 5 | G, H (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 6 | I (A) | CARBONATE ION | non-polymer | 60.0 | 1 | Chemie (CO3) | |||
| 7 | J (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 8 | K, L (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | M, N (A) | ETHANOL | non-polymer | 46.1 | 2 | Chemie (EOH) | |||
| 10 | O (A) | 1-butyl-1H-pyrazole-5-carboxylic acid | non-polymer | 168.2 | 1 | Chemie (XXB) | |||
| 11 | P, Q (A, B) | water | water | 18.0 | 549 | Chemie (HOH) |
Sequence modifications
A: 342 - 676 (UniProt: P24627)
| PDB | External Database | Details |
|---|---|---|
| Lys 565 | Asn 584 | SEE REMARK 999 |
| Glu 608 | Lys 627 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37275.1 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1273.2 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 787.3 | |
| All* | Total formula weight | 39335.5 |
