MolNFT v1 · #97210 · protein

X-ray crystal structure of an L,D-transpeptidase from mycobacterium tuberculosis H37RV

4K73: “X-ray crystal structure of an L,D-transpeptidase from mycobacterium tuberculosis H37RV”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.41). MolNFT v1 #97210 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4K73
Type: protein
Length: 221 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: L,D-transpeptidase
UniProt: O06825
Ligands: CA
Pockets: 3 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	L,D-transpeptidase	protein	221	12% helix, 43% strand	O06825

Ligands and binding sites

CA · Calcium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	95	0.41	0.77	27	empty
2	83	0.40	0.78	19	empty
3	75	0.34	0.75	18	empty

Compared structures

4K73 · X-ray crystal structure of an L,D-transpeptidase from Mycobacterium tuberculosis H37Rv · the same entry in another collection · chain A against A, TM-score 1.00
O06825 · AlphaFold monomer V2.0 prediction for probable L,D-transpeptidase 3 (O06825) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 O06825
Elsewhere: RCSB PDB 4K73 · PDBe 4K73 · UniProt O06825

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