MolNFT v1 · #50535 · protein
Crystal structure of the oxa-10 W154H mutant at pH 7
2RL3 · Beta-lactamase pse-2: “Crystal structure of the oxa-10 W154H mutant at pH 7”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.73). MolNFT v1 #50535 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2RL3
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-lactamase pse-2
- EC
- 3.5.2.6
- UniProt
- P14489
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-lactamase pse-2 (EC 3.5.2.6) | protein | 246 | 38% helix, 24% strand | P14489 |
| B | Beta-lactamase pse-2 (EC 3.5.2.6) | protein | 248 | 40% helix, 22% strand | P14489 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
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 | 146 | 0.73 | 0.92 | 30 | empty |
| 2 | 175 | 0.71 | 0.89 | 32 | GOL |
| 3 | 210 | 0.49 | 0.75 | 34 | SO4 |
| 4 | 81 | 0.37 | 0.77 | 21 | empty |
| 5 | 64 | 0.32 | 0.75 | 15 | SO4, GOL |
Interfaces
1 interface between chains.
- A–B · 1242 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
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 P14489
- Elsewhere: RCSB PDB 2RL3 · PDBe 2RL3 · UniProt P14489
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