5TOY
X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Beta-lactamase | polymer | 263 | 27942.5 | 2 | UniProt (A0A1B3B7F6) Pfam (PF00144) Pfam (PF13354) UniProt (by SIFTS) (Q9L5C7) | Escherichia coli | CTX-M-14 Class A Beta-Lactamase |
| 2 | C, D, E (C, D, E) | beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose | branched | 342.3 | 3 | In PDB BIRD (PRD_900003) | sucrose | ||
| 3 | F, K (A, B) | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 4 | G, H, L, M (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) | |||
| 5 | I, N (A, B) | [(1,2,3,4,5-eta)-1-(4-{[carboxy(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | non-polymer | 538.5 | 2 | Chemie (JSC) | |||
| 6 | J, P (A, B) | [(1,2,3,4,5-eta)-1-(4-{[(4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl)methyl]amino}-4-oxobutanoyl)cyclopentadienyl][(1,2,3,4,5-eta)-cyclopentadienyl]ruthenium | non-polymer | 494.5 | 2 | Chemie (JSD) | |||
| 7 | O (B) | RUTHENIUM ION | non-polymer | 101.1 | 1 | Chemie (RU) | |||
| 8 | Q, R (A, B) | water | water | 18.0 | 600 | Chemie (HOH) |
Sequence modifications
A, B: 25 - 290 (UniProt: A0A1B3B7F6)
| PDB | External Database | Details |
|---|---|---|
| Ala 166 | Glu 166 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55885.0 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1026.9 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 2625.2 | |
| All* | Total formula weight | 59537.1 |
