MolNFT v1 · #48870 · protein
Crystal structure of glucuronate isomerase from bacillus halodurans complexed with zn
2Q6E · BH0493 protein: “Crystal structure of glucuronate isomerase from bacillus halodurans complexed with zn”. X-ray diffraction, 3 ligands (ZN, NA, CL), 12 pockets (best druggability 0.65). MolNFT v1 #48870 on GenesisL1: 3D structure…
- PDB
- 2Q6E
- Type
- protein
- Length
- 1,236 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH0493 protein
- UniProt
- Q9KFI6
- Ligands
- ZN, NA, CL
- Pockets
- 12 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | BH0493 protein | protein | 412 | 57% helix, 9% strand | Q9KFI6 |
Ligands and binding sites
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
- NA · Sodium ion · metal · chains A, B, C
- CL · Chloride ion · ion · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 382 | 0.65 | 0.79 | 49 | empty |
| 2 | 722 | 0.65 | 0.74 | 74 | NA |
| 3 | 380 | 0.64 | 0.79 | 49 | ZN |
| 4 | 326 | 0.64 | 0.80 | 43 | empty |
| 5 | 175 | 0.50 | 0.77 | 32 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2055 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 2049 Ų buried · 37 hydrogen bonds · protein-protein
- B–C · 2033 Ų buried · 37 hydrogen bonds · protein-protein
Compared structures
- 2Q6E · Crystal structure of glucuronate isomerase from Bacillus halodurans complexed with Zn · 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 Q9KFI6
- Elsewhere: RCSB PDB 2Q6E · PDBe 2Q6E · UniProt Q9KFI6
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