Research workbench
Crystal structure of glmu from mycobacterium tuberculosis in complex with acetyl coenzyme a and uridine-diphosphate-N-acetylglucosamine
Analyse Crystal structure of glmu from mycobacterium tuberculosis in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SPT
- Type
- protein
- Length
- 474 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional protein glmu
- EC
- 2.7.7.23, 2.3.1.157
- UniProt
- P96382
- Ligands
- ACO, UD1, MG
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 474 | 25% helix, 31% strand | P96382 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 526 | 0.78 | 0.85 | 52 | MG, UD1 |
| 2 | 131 | 0.39 | 0.74 | 16 | empty |
| 3 | 84 | 0.35 | 0.75 | 15 | empty |
Compared structures
- 3SPT · Crystal structure of GlmU from Mycobacterium tuberculosis in complex with ACETYL COENZYME… · 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 P96382
- Elsewhere: RCSB PDB 3SPT · PDBe 3SPT · UniProt P96382
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