MolNFT v1 · #80514 · protein

Crystal structure of aspartate semialdehyde dehydrogenase complexed with inhibitor smcs (cys) and phosphate from mycobacterium tuberculosis H37RV

3TZ6 · Aspartate-semialdehyde dehydrogenase: “Crystal structure of aspartate semialdehyde dehydrogenase complexed with inhibitor smcs (cys) and phosphate…”. X-ray diffraction, 2 ligands (CYS, SO4), 1 pocket (best druggability 0.54). MolNFT…

PDB: 3TZ6
Type: protein
Length: 342 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Aspartate-semialdehyde dehydrogenase
EC: 1.2.1.11
UniProt: P0A542
Ligands: CYS, SO4
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Aspartate-semialdehyde dehydrogenase (EC 1.2.1.11)	protein	342	35% helix, 25% strand	P0A542

Ligands and binding sites

CYS · Cysteine · ligand · chains A
SO4 · Sulfate ion · ion · 6 copies · chains A
GOL · Glycerol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	242	0.54	0.77	34	CYS, SO4

Modifications

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

Compared structures

3TZ6 · Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With inhibitor SMCS… · 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 P0A542
Elsewhere: RCSB PDB 3TZ6 · PDBe 3TZ6 · UniProt P0A542

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