MolNFT v1 · #23793 · protein
Crystal structure of catalase-peroxidase from synechococcus pcc 7942
1UB2: “Crystal structure of catalase-peroxidase from synechococcus pcc 7942”. X-ray diffraction, 1 ligand (HEM), 9 pockets (best druggability 0.83). MolNFT v1 #23793 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1UB2
- Type
- protein
- Length
- 700 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase-peroxidase
- EC
- 1.11.1.6
- UniProt
- Q55110
- Ligands
- HEM
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalase-peroxidase (EC 1.11.1.6) | protein | 700 | 41% helix, 7% strand | Q55110 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 509 | 0.83 | 0.89 | 68 | HEM |
| 2 | 601 | 0.70 | 0.79 | 56 | empty |
| 3 | 492 | 0.69 | 0.79 | 39 | empty |
| 4 | 97 | 0.54 | 0.84 | 28 | empty |
| 5 | 91 | 0.46 | 0.81 | 21 | empty |
Compared structures
- 1UB2 · Crystal structure of catalase-peroxidase from Synechococcus PCC 7942 · 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 Q55110
- Elsewhere: RCSB PDB 1UB2 · PDBe 1UB2 · UniProt Q55110
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