MolNFT v1 · #106682 · protein
Crystal structure of 6-phosphogluconolactonase from mycobacterium smegmatis N131D mutant soaked with CUSO4
4TM7: “Crystal structure of 6-phosphogluconolactonase from mycobacterium smegmatis N131D mutant soaked with CUSO4”. X-ray diffraction, 4 ligands (CU, CU1, CL), 1 pocket (best druggability 0.48). MolNFT v1 #106682 on GenesisL1: 3D…
- PDB
- 4TM7
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphogluconolactonase
- EC
- 3.1.1.31
- UniProt
- A0QWX6
- Ligands
- CU, CU1, CL, SO4
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 6-phosphogluconolactonase (EC 3.1.1.31) | protein | 243 | 40% helix, 21% strand | A0QWX6 |
Ligands and binding sites
- CU · Copper (II) ion · metal · 15 copies · chains A
- CU1 · Copper (I) ion · metal · chains A
- CL · Chloride ion · ion · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- EDO · 1,2-ethanediol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 111 | 0.48 | 0.81 | 22 | SO4, CU |
Compared structures
- 4TM7 · Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant… · 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 A0QWX6
- Elsewhere: RCSB PDB 4TM7 · PDBe 4TM7 · UniProt A0QWX6
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