MolNFT v1 · #157794 · protein
1.55 ångström resolution crystal structure of 6- phosphogluconolactonase from klebsiella pneumoniae
6NAU · 6-phosphogluconolactonase: “1.55 ångström resolution crystal structure of 6- phosphogluconolactonase from klebsiella pneumoniae”. X-ray diffraction, 1 ligand (CL), 10 pockets (best druggability 0.83). MolNFT v1 #157794 on GenesisL1…
- PDB
- 6NAU
- Type
- protein
- Length
- 1,002 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 6-phosphogluconolactonase
- EC
- 3.1.1.31
- UniProt
- A0A2X3FDC7
- Ligands
- CL
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 2% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | 6-phosphogluconolactonase (EC 3.1.1.31) | protein | 334 | 2% helix, 55% strand | A0A2X3FDC7 |
Ligands and binding sites
- CL · Chloride ion · ion · 7 copies · chains A, B, C
- B3P · 2-[3-(2-hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1104 | 0.83 | 0.84 | 72 | empty |
| 2 | 667 | 0.76 | 0.82 | 43 | empty |
| 3 | 692 | 0.76 | 0.81 | 42 | empty |
| 4 | 339 | 0.60 | 0.77 | 45 | CL |
| 5 | 170 | 0.49 | 0.78 | 30 | empty |
Interfaces
2 interfaces between chains.
- A–B · 777 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 391 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6NAU · 1.55 Angstrom Resolution Crystal Structure of 6-phosphogluconolactonase from Klebsiella… · 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 A0A2X3FDC7
- Elsewhere: RCSB PDB 6NAU · PDBe 6NAU · UniProt A0A2X3FDC7
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