MolNFT v1 · #92315 · protein
Crystal structure of glmu from mycobacterium tuberculosis in complex with uridine-diphosphate-N-acetylglucosamine and pyrophosphate snapshot 2
4G3S · Bifunctional protein glmu: “Crystal structure of glmu from mycobacterium tuberculosis in complex with…”. X-ray diffraction, 5 ligands (UD1, GN1, POP), 3 pockets (best druggability 0.79). MolNFT v1 #92315 on GenesisL1: 3D structure…
- PDB
- 4G3S
- Type
- protein
- Length
- 462 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
- UD1, GN1, POP, MG, CO
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157) | protein | 462 | 25% helix, 30% strand | P96382 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · chains A
- GN1 · 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · chains A
- POP · Pyrophosphate 2- · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CO · Cobalt (II) ion · metal · 2 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 | 453 | 0.79 | 0.87 | 49 | UD1, POP, CO |
| 2 | 115 | 0.39 | 0.74 | 16 | empty |
| 3 | 95 | 0.37 | 0.75 | 16 | empty |
Compared structures
- 4G3S · Crystal structure of GlmU from Mycobacterium tuberculosis in complex with… · 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 4G3S · PDBe 4G3S · UniProt P96382
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