Research workbench

Myo-inositol 1-phosphate synthase from mycobacterium tuberculosis in complex with NAD and zinc.

Analyse Myo-inositol 1-phosphate synthase from mycobacterium tuberculosis in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1GR0
Type: protein
Length: 328 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inositol-3-phosphate synthase
EC: 5.5.1.4
UniProt: P71703
Ligands: NAD, ZN
Pockets: 3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inositol-3-phosphate synthase (EC 5.5.1.4)	protein	328	37% helix, 25% strand	P71703

Ligands and binding sites

NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
ZN · Zinc ion · metal · chains A
CAC · Cacodylate ion · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	581	0.79	0.85	85	NAD, ZN
2	112	0.46	0.78	17	empty
3	59	0.36	0.78	13	empty

Compared structures

1GR0 · myo-inositol 1-phosphate synthase from Mycobacterium tuberculosis in complex with NAD and… · 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 P71703
Elsewhere: RCSB PDB 1GR0 · PDBe 1GR0 · UniProt P71703

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.