Research workbench
Crystal structure of ligand-free of pula from klebsiella pneumoniae
Analyse Crystal structure of ligand-free of pula from klebsiella pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6J33
- Type
- protein
- Length
- 2,098 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pullulanase
- UniProt
- W9BQ28
- Ligands
- MG, CA
- Pockets
- 16 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pullulanase | protein | 1045 | 28% helix, 24% strand | W9BQ28 |
| B | Pullulanase | protein | 1053 | 28% helix, 24% strand | W9BQ28 |
Ligands and binding sites
- MG · Magnesium ion · metal · 22 copies · chains A, B
- CA · Calcium ion · metal · chains B
- ACT · Acetate ion · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 944 | 0.81 | 0.82 | 97 | MG, ACT |
| 2 | 1081 | 0.79 | 0.81 | 107 | ACT, MG |
| 3 | 223 | 0.62 | 0.81 | 38 | ACT |
| 4 | 219 | 0.61 | 0.81 | 38 | empty |
| 5 | 144 | 0.48 | 0.78 | 24 | MG |
Interfaces
1 interface between chains.
- A–B · 1429 Ų buried · 27 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6J33 · Crystal structure of ligand-free of PulA from Klebsiella pneumoniae · 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 W9BQ28
- Elsewhere: RCSB PDB 6J33 · PDBe 6J33 · UniProt W9BQ28
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.