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1.5A resolution crystal structure of a metallo beta lactamase family protein, the elac homolgue of bacillus anthracis, a putative ribonuclease
Analyse 1.5A resolution crystal structure of a metallo beta lactamase family protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZKP
- Type
- protein
- Length
- 998 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical protein BA1088
- UniProt
- Q81U06
- Ligands
- ZN, NA, CL
- Pockets
- 12 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 23% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Hypothetical protein BA1088 | protein | 251 | 23% helix, 30% strand | Q81U06 |
| B | Hypothetical protein BA1088 | protein | 251 | 23% helix, 30% strand | Q81U06 |
| C | Hypothetical protein BA1088 | protein | 245 | 24% helix, 31% strand | Q81U06 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
- NA · Sodium ion · metal · 4 copies · chains A, B, C
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 525 | 0.75 | 0.82 | 71 | CL |
| 2 | 313 | 0.64 | 0.80 | 44 | empty |
| 3 | 360 | 0.64 | 0.79 | 37 | empty |
| 4 | 365 | 0.62 | 0.78 | 34 | empty |
| 5 | 210 | 0.53 | 0.78 | 25 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1187 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 1181 Ų buried · 11 hydrogen bonds · protein-protein
- C–D · 578 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 457 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 1ZKP · 1.5A Resolution Crystal Structure of a Metallo Beta Lactamase Family Protein, the ELAC… · 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 Q81U06
- Elsewhere: RCSB PDB 1ZKP · PDBe 1ZKP · UniProt Q81U06
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