Research workbench
Crystal structure of ligand-free of pula-G680L mutant from klebsiella pneumoniae
Analyse Crystal structure of ligand-free of pula-G680L mutant 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
- 6J35
- Type
- protein
- Length
- 2,097 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pullulanase
- UniProt
- W9BQ28
- Ligands
- MG, CA
- Pockets
- 17 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pullulanase | protein | 1052 | 29% helix, 24% strand | W9BQ28 |
| B | Pullulanase | protein | 1045 | 28% helix, 24% strand | W9BQ28 |
Ligands and binding sites
- MG · Magnesium ion · metal · 9 copies · chains A, B
- CA · Calcium ion · metal · chains B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1057 | 0.78 | 0.80 | 91 | empty |
| 2 | 723 | 0.74 | 0.79 | 77 | empty |
| 3 | 800 | 0.73 | 0.78 | 88 | empty |
| 4 | 215 | 0.64 | 0.83 | 37 | empty |
| 5 | 260 | 0.63 | 0.81 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 1412 Ų buried · 26 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 6J35 · Crystal structure of ligand-free of PulA-G680L mutant 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 6J35 · PDBe 6J35 · UniProt W9BQ28
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