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Crystal structure of plasmid-encoded class C beta-lactamase cmy-2 complexed with citrate molecule
Analyse Crystal structure of plasmid-encoded class C beta-lactamase cmy-2 complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZC2
- Type
- protein
- Length
- 714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase class C
- EC
- 3.5.2.6
- UniProt
- Q48434
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase class C (EC 3.5.2.6) | protein | 358 | 39% helix, 23% strand | Q48434 |
| B | Beta-lactamase class C (EC 3.5.2.6) | protein | 356 | 38% helix, 23% strand | Q48434 |
Ligands and binding sites
- CIT · Citric acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 978 | 0.83 | 0.84 | 104 | CIT |
| 2 | 134 | 0.51 | 0.80 | 23 | empty |
| 3 | 71 | 0.34 | 0.76 | 18 | empty |
| 4 | 67 | 0.31 | 0.75 | 18 | empty |
| 5 | 53 | 0.28 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 906 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1ZC2 · Crystal Structure of plasmid-encoded class C beta-lactamase CMY-2 complexed with citrate… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q48434
- Elsewhere: RCSB PDB 1ZC2 · PDBe 1ZC2 · UniProt Q48434
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