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Crystal structure of antigen 85C from mycobacterium tuberculosis with diethyl phosphate inhibitor

Analyse Crystal structure of antigen 85C from mycobacterium tuberculosis with diethyl… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1DQY
Type: protein
Length: 283 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (antigen 85-C)
UniProt: P0A4V4
Ligands: DEP
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein (antigen 85-C)	protein	283	39% helix, 16% strand	P0A4V4

Ligands and binding sites

DEP · Diethyl phosphonate · ligand · chains A
MRD · (4R)-2-methylpentane-2,4-diol · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	171	0.54	0.79	36	DEP
2	51	0.27	0.74	15	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

1DQY · Crystal structure of antigen 85C from mycobacterium tuberculosis with diethyl phosphate… · 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 P0A4V4
Elsewhere: RCSB PDB 1DQY · PDBe 1DQY · UniProt P0A4V4

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