MolNFT v1 · #66665 · protein
Structure of heme-degrader, mhud (RV3592), from mycobacterium tuberculosis with two hemes bound in its active site
3HX9 · Protein RV3592: “Structure of heme-degrader, mhud (RV3592), from mycobacterium tuberculosis with two hemes bound in its active…”. X-ray diffraction, 2 ligands (HEM, CL), 3 pockets (best druggability 0.65). MolNFT v1 #66665 on…
- PDB
- 3HX9
- Type
- protein
- Length
- 199 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein RV3592
- UniProt
- O06156
- Ligands
- HEM, CL
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein RV3592 | protein | 101 | 23% helix, 38% strand | O06156 |
| B | Protein RV3592 | protein | 98 | 23% helix, 38% strand | O06156 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 503 | 0.65 | 0.77 | 34 | HEM, CL |
| 2 | 477 | 0.64 | 0.76 | 33 | HEM, CL |
| 3 | 81 | 0.42 | 0.79 | 28 | empty |
Interfaces
1 interface between chains.
- A–B · 1598 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 3HX9 · Structure of heme-degrader, MhuD (Rv3592), from Mycobacterium tuberculosis with two hemes… · 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 O06156
- Elsewhere: RCSB PDB 3HX9 · PDBe 3HX9 · UniProt O06156
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