MolNFT v1 · #153116 · protein
Crystal structure of wild type katb, a manganese catalase from anabaena
6J42 · ALR3090 protein: “Crystal structure of wild type katb, a manganese catalase from anabaena”. X-ray diffraction, 2 ligands (MN, CA), 5 pockets (best druggability 0.77). MolNFT v1 #153116 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6J42
- Type
- protein
- Length
- 657 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALR3090 protein
- UniProt
- Q8YSJ5
- Ligands
- MN, CA
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | ALR3090 protein | protein | 219 | 52% helix, 5% strand | Q8YSJ5 |
| B | ALR3090 protein | protein | 219 | 48% helix, 5% strand | Q8YSJ5 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 6 copies · chains A, B, C
- CA · Calcium ion · metal · 5 copies · chains A, C, B
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 409 | 0.77 | 0.87 | 75 | empty |
| 2 | 190 | 0.46 | 0.75 | 27 | CA, PG4 |
| 3 | 130 | 0.45 | 0.77 | 25 | empty |
| 4 | 124 | 0.38 | 0.73 | 20 | empty |
| 5 | 89 | 0.33 | 0.73 | 20 | empty |
Interfaces
3 interfaces between chains.
- B–C · 3074 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 1932 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 664 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6J42 · Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena · 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 Q8YSJ5
- Elsewhere: RCSB PDB 6J42 · PDBe 6J42 · UniProt Q8YSJ5
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