Research workbench
Structural basis for the inhibition of mycobacterium tuberculosis L,D- transpeptidase by meropenem, a drug effective against extensively drug-resistant strains
Analyse Structural basis for the inhibition of mycobacterium tuberculosis L,D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GSR
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable conserved lipoprotein lpps
- UniProt
- O53223
- Ligands
- EMT
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable conserved lipoprotein lpps | protein | 263 | 12% helix, 40% strand | O53223 |
Ligands and binding sites
- EMT · 2-(ethylmercuri-thio)-benzoic acid · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 105 | 0.51 | 0.82 | 24 | empty |
| 2 | 67 | 0.31 | 0.74 | 12 | empty |
Compared structures
- 4GSR · Structural basis for the inhibition of Mycobacterium tuberculosis L,D-transpeptidase by… · the same entry in another collection · chain A against A, TM-score 1.00
- O53223 · AlphaFold monomer V2.0 prediction for L,D-transpeptidase 2 (O53223) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 O53223
- Elsewhere: RCSB PDB 4GSR · PDBe 4GSR · UniProt O53223
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