4KNL
Crystal structure of Staphylococcus aureus hydrolase AmiA in complex with its ligand
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Bifunctional autolysin | polymer | 225 | 25265.8 | 4 | UniProt (Q2FZK7) Pfam (PF01510) | Staphylococcus aureus subsp. aureus NCTC 8325 | |
| 2 | E, F (F, G) | Muramyl tetrapeptide | polymer | 5 | 456.5 | 2 | BIRD (PRD_001066) | synthetic construct | |
| 3 | G, K, P, U (A, B, C, D) | IMIDAZOLE | non-polymer | 69.1 | 4 | Chemie (IMD) | |||
| 4 | H, J, L, N, Q... (A, B, C, D) | SODIUM ION | non-polymer | 23.0 | 8 | Chemie (NA) PubChem (923) | |||
| 5 | I, M (A, B) | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) PubChem (284) | |||
| 6 | O (B) | OXAMIC ACID | non-polymer | 89.0 | 1 | Chemie (OXM) PubChem (974) | |||
| 7 | R (C) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 1 | Chemie (MPD) | |||
| 8 | S (C) | D(-)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TAR) | |||
| 9 | X, Y (F, G) | N-acetyl-alpha-muramic acid | non-polymer | 293.3 | 2 | Chemie (MUB) PubChem (439789) PubChem (440822) PubChem (542212) PubChem (5462244) PubChem (6323218) PubChem (6713944) PubChem (7058171) PubChem (12917651) PubChem (12917652) PubChem (71191327) PubChem (23988681) PubChem (45934204) PubChem (2724352) PubChem (51399526) PubChem (6604336) PubChem (58852883) PubChem (92215929) PubChem (92332568) PubChem (92332569) PubChem (92336176) PubChem (94936197) PubChem (96559697) PubChem (135342243) PubChem (138107680) PubChem (139024455) PubChem (154701375) | |||
| 10 | AA, BA, CA, DA, EA... (B, C, D, F, G...) | water | water | 18.0 | 630 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 198 - 421 (UniProt: Q2FZK7)
| PDB | External Database | Details |
|---|---|---|
| Gly 197 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 101976.3 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 1496.2 | |
| All* | Total formula weight | 103472.5 |
