MolNFT v1 · #102570 · protein
Crystal structure of stabilized tem-1 beta-lactamase variant V.13 carrying G238S mutation
4OPR · Tem-94 es-beta-lactamase: “Crystal structure of stabilized tem-1 beta-lactamase variant V.13 carrying G238S mutation”. X-ray diffraction, 2 ligands (CA, SO4), 1 pocket (best druggability 0.35). MolNFT v1 #102570 on GenesisL1: 3D…
- PDB
- 4OPR
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tem-94 es-beta-lactamase
- UniProt
- Q8KMX3
- Ligands
- CA, SO4
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tem-94 es-beta-lactamase | protein | 263 | 43% helix, 17% strand | Q8KMX3 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.35 | 0.75 | 19 | SO4 |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 4OPR · Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying G238S mutation · 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 Q8KMX3
- Elsewhere: RCSB PDB 4OPR · PDBe 4OPR · UniProt Q8KMX3
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