MolNFT v1 · #14393 · protein
Crystal structure analysis of catalase catf of pseudomonas syringae
1M7S: “Crystal structure analysis of catalase catf of pseudomonas syringae”. X-ray diffraction, 1 ligand (HEM), 20 pockets (best druggability 0.88). MolNFT v1 #14393 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1M7S
- Type
- protein
- Length
- 1,934 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase
- EC
- 1.11.1.6
- UniProt
- P46206
- Ligands
- HEM
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Catalase (EC 1.11.1.6) | protein | 484 | 34% helix, 18% strand | P46206 |
| B, C | Catalase (EC 1.11.1.6) | protein | 483 | 34% helix, 18% strand | P46206 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 419 | 0.88 | 0.97 | 54 | empty |
| 2 | 644 | 0.87 | 0.91 | 50 | empty |
| 3 | 268 | 0.86 | 0.97 | 49 | HEM |
| 4 | 271 | 0.85 | 0.96 | 46 | HEM |
| 5 | 257 | 0.85 | 0.96 | 45 | HEM |
Interfaces
6 interfaces between chains.
- B–D · 4422 Ų buried · 67 hydrogen bonds · protein-protein
- A–C · 4412 Ų buried · 69 hydrogen bonds · protein-protein
- A–D · 4325 Ų buried · 72 hydrogen bonds · protein-protein
- B–C · 4319 Ų buried · 75 hydrogen bonds · protein-protein
- C–D · 2429 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
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 P46206
- Elsewhere: RCSB PDB 1M7S · PDBe 1M7S · UniProt P46206
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