MolNFT v1 · #153358 · protein
Structural analysis of molybdopterin synthases from two mycobacteria pathogens
6JBZ · Molybdenum cofactor biosynthesis protein E: “Structural analysis of molybdopterin synthases from two mycobacteria pathogens”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.59). MolNFT v1 #153358 on GenesisL1: 3D…
- PDB
- 6JBZ
- Type
- protein
- Length
- 450 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdenum cofactor biosynthesis protein E; MOAD/THIS family protein
- EC
- 2.8.1.12
- UniProt
- A0A045HUW8, A0A045H6C3
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Molybdenum cofactor biosynthesis protein E (EC 2.8.1.12) | protein | 141 | 28% helix, 43% strand | A0A045HUW8 |
| B, D | MOAD/THIS family protein | protein | 84 | 30% helix, 31% strand | A0A045H6C3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, C
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 | 171 | 0.59 | 0.82 | 27 | SO4 |
| 2 | 134 | 0.56 | 0.82 | 22 | SO4 |
| 3 | 62 | 0.28 | 0.73 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1252 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 762 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 757 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6JBZ · Structural analysis of molybdopterin synthases from two mycobacteria pathogens · 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 A0A045HUW8
- Every structure of UniProt A0A045H6C3
- Elsewhere: RCSB PDB 6JBZ · PDBe 6JBZ · UniProt A0A045HUW8 · UniProt A0A045H6C3
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