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Crystal structure of mycobacterium tuberculosis indole glycerol phosphate synthase (igps) in complex with phenoxymethyl benzoic acid (pmba)

Analyse Crystal structure of mycobacterium tuberculosis indole glycerol phosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3T55
Type: protein
Length: 258 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Indole-3-glycerol phosphate synthase
EC: 4.1.1.48
UniProt: P0A632
Ligands: 4RG, SO4
Pockets: 1 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Indole-3-glycerol phosphate synthase (EC 4.1.1.48)	protein	258	46% helix, 18% strand	P0A632

Ligands and binding sites

4RG · 3-(phenoxymethyl)benzoic acid · ligand · chains A
SO4 · Sulfate ion · ion · chains A
MLI · Malonate ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	155	0.75	0.92	31	4RG, MLI

Compared structures

3T55 · Crystal structure of Mycobacterium tuberculosis Indole Glycerol Phosphate Synthase (IGPS)… · 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 P0A632
Elsewhere: RCSB PDB 3T55 · PDBe 3T55 · UniProt P0A632

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