MolNFT v1 · #172590 · protein
Cryo-EM structure of W107R after heme uptake (2HEME molecules) katg from M. tuberculosis
7A7A · Catalase-peroxidase: “Cryo-EM structure of W107R after heme uptake (2HEME molecules) katg from M. tuberculosis”. Electron microscopy, 1 ligand (HEM), 20 pockets (best druggability 0.83). MolNFT v1 #172590 on GenesisL1: 3D structure…
- PDB
- 7A7A
- Type
- protein
- Length
- 1,324 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase-peroxidase
- EC
- 1.11.1.21
- UniProt
- A0A0D5ZBI4
- Ligands
- HEM
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 41% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalase-peroxidase (EC 1.11.1.21) | protein | 657 | 41% helix, 3% strand | A0A0D5ZBI4 |
| B | Catalase-peroxidase (EC 1.11.1.21) | protein | 667 | 42% helix, 7% strand | A0A0D5ZBI4 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 513 | 0.83 | 0.89 | 59 | HEM |
| 2 | 568 | 0.75 | 0.83 | 74 | empty |
| 3 | 626 | 0.74 | 0.80 | 83 | HEM |
| 4 | 78 | 0.73 | 0.97 | 16 | empty |
| 5 | 693 | 0.73 | 0.79 | 79 | empty |
Interfaces
1 interface between chains.
- A–B · 3059 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7A7A · Cryo-EM structure of W107R after heme uptake (2heme molecules) KatG from M. tuberculosis · 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 A0A0D5ZBI4
- Elsewhere: RCSB PDB 7A7A · PDBe 7A7A · UniProt A0A0D5ZBI4
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