MolNFT v1 · #84043 · protein
Crystal structure of the catalase-peroxidase katg W78F mutant from synechococcus elongatus PCC7942
3X16: “Crystal structure of the catalase-peroxidase katg W78F mutant from synechococcus elongatus PCC7942”. X-ray diffraction, 2 ligands (HEB, NA), 8 pockets (best druggability 0.81). MolNFT v1 #84043 on GenesisL1: 3D structure, binding…
- PDB
- 3X16
- Type
- protein
- Length
- 710 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase-peroxidase
- EC
- 1.11.1.21
- UniProt
- Q31MN3
- Ligands
- HEB, NA
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalase-peroxidase (EC 1.11.1.21) | protein | 710 | 44% helix, 7% strand | Q31MN3 |
Ligands and binding sites
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 | 543 | 0.81 | 0.87 | 62 | HEB |
| 2 | 646 | 0.72 | 0.79 | 63 | empty |
| 3 | 449 | 0.63 | 0.77 | 43 | empty |
| 4 | 55 | 0.40 | 0.81 | 19 | empty |
| 5 | 59 | 0.35 | 0.77 | 15 | empty |
Compared structures
- 3X16 · Crystal structure of the catalase-peroxidase KatG W78F mutant from Synechococcus… · the same entry in another collection · chain A against A, TM-score 1.00
- Q31MN3 · AlphaFold monomer V2.0 prediction for catalase-peroxidase (Q31MN3) · a predicted model of the same protein · 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 Q31MN3
- Elsewhere: RCSB PDB 3X16 · PDBe 3X16 · UniProt Q31MN3
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