MolNFT v1 · #172677 · protein
T275P after heme uptake from M. tuberculosis
7AA3 · Catalase-peroxidase: “T275P after heme uptake from M. tuberculosis”. Electron microscopy, 15 pockets (best druggability 0.72). MolNFT v1 #172677 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AA3
- Type
- protein
- Length
- 1,094 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Catalase-peroxidase
- EC
- 1.11.1.21
- UniProt
- A0A0D5ZBI4
- Pockets
- 15 · best druggability 0.72
Structure
electron microscopy · 2 distinct chains · 39% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Catalase-peroxidase (EC 1.11.1.21) | protein | 550 | 43% helix, 3% strand | A0A0D5ZBI4 |
| B | Catalase-peroxidase (EC 1.11.1.21) | protein | 544 | 36% helix, 2% strand | A0A0D5ZBI4 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 848 | 0.72 | 0.77 | 83 | empty |
| 2 | 670 | 0.69 | 0.77 | 62 | empty |
| 3 | 62 | 0.67 | 0.95 | 26 | empty |
| 4 | 166 | 0.66 | 0.86 | 36 | empty |
| 5 | 73 | 0.60 | 0.89 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1806 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7AA3 · T275P after heme uptake from M. tuberculosis · the same entry in another collection · chain B against B, 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 7AA3 · PDBe 7AA3 · UniProt A0A0D5ZBI4
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