Research workbench
Crystal structure of putative aldolase from klebsiella pneumoniae.
Analyse Crystal structure of putative aldolase 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
- 3M0Z
- Type
- protein
- Length
- 992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative aldolase
- UniProt
- A6THF7
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Putative aldolase | protein | 248 | 43% helix, 18% strand | A6THF7 |
| B | Putative aldolase | protein | 247 | 43% helix, 18% strand | A6THF7 |
| D | Putative aldolase | protein | 249 | 43% helix, 18% strand | A6THF7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 966 | 0.77 | 0.79 | 78 | empty |
| 2 | 200 | 0.55 | 0.79 | 38 | empty |
| 3 | 122 | 0.52 | 0.81 | 28 | empty |
| 4 | 227 | 0.49 | 0.75 | 31 | empty |
| 5 | 239 | 0.49 | 0.75 | 33 | empty |
Interfaces
5 interfaces between chains.
- C–D · 966 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 958 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 534 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 499 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 166 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 28 modified (engineered).
Compared structures
- 3M0Z · Crystal structure of putative aldolase 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 A6THF7
- Elsewhere: RCSB PDB 3M0Z · PDBe 3M0Z · UniProt A6THF7
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