MolNFT v1 · #93110 · protein

Structural basis for the inhibition of mycobacterium tuberculosis L,D- transpeptidase by meropenem, a drug effective against extensively drug-resistant strains

4GSQ · Probable conserved lipoprotein lpps: “Structural basis for the inhibition of mycobacterium tuberculosis L,D- transpeptidase by meropenem, a drug…”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.47). MolNFT v1…

PDB: 4GSQ
Type: protein
Length: 245 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable conserved lipoprotein lpps
UniProt: O53223
Ligands: CA
Pockets: 1 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 11% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable conserved lipoprotein lpps	protein	245	11% helix, 41% strand	O53223

Ligands and binding sites

CA · Calcium ion · metal · chains A
GOL · Glycerol · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	99	0.47	0.81	20	empty

Compared structures

4GSQ · 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 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 O53223
Elsewhere: RCSB PDB 4GSQ · PDBe 4GSQ · UniProt O53223

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