7QUV
Crystal structure of human Calprotectin (S100A8/S100A9) in complex with Peptide 3
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Protein S100-A9 | polymer | 122 | 14132.0 | 1 | UniProt (P06702) Pfam (PF01023) | Homo sapiens (human) | Calgranulin-B,Calprotectin L1H subunit,Leukocyte L1 complex heavy chain,Migration inhibitory factor-related protein 14,MRP-14,p14,S100 calcium-binding protein A9 |
| 2 | B (A) | Protein S100-A8 | polymer | 95 | 10991.6 | 1 | UniProt (P05109) Pfam (PF01023) | Homo sapiens (human) | Calgranulin-A,Calprotectin L1L subunit,Cystic fibrosis antigen,CFAG,Leukocyte L1 complex light chain,Migration inhibitory factor-related protein 8,MRP-8,p8,S100 calcium-binding protein A8,Urinary stone protein band A |
| 3 | C (C) | Peptide 3 | polymer | 18 | 2115.3 | 1 | synthetic construct | ||
| 4 | D, E, I (B, A) | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 5 | F (B) | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 6 | G (B) | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
| 7 | H (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | J (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 9 | K (A) | POTASSIUM ION | non-polymer | 39.1 | 1 | Chemie (K) | |||
| 10 | L (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 11 | M (C) | 4-methanoyl-2-(6-oxidanyl-3-oxidanylidene-4~{H}-xanthen-9-yl)benzoic acid | non-polymer | 360.3 | 1 | Chemie (F3U) | |||
| 12 | N (C) | AMINO GROUP | non-polymer | 16.0 | 1 | Chemie (NH2) | |||
| 13 | O, P, Q (B, A, C) | water | water | 18.0 | 91 | Chemie (HOH) |
Sequence modifications
B: 3 - 116 (UniProt: P06702)
A: 3 - 95 (UniProt: P05109)
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Pro 2 | - | expression tag |
| Ser 5 | Cys 3 | engineered mutation |
| Leu 117 | - | expression tag |
| Glu 118 | - | expression tag |
| Val 119 | - | expression tag |
| Leu 120 | - | expression tag |
| Phe 121 | - | expression tag |
| Gln 122 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 1 | - | expression tag |
| Pro 2 | - | expression tag |
| Ser 44 | Cys 42 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 27238.9 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 921.7 | |
| All* | Total formula weight | 28160.6 |
