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Crystal structure of the molybdopterin biosynthesis enzyme moab (TTHA0341) from thermus theromophilus HB8
Analyse Crystal structure of the molybdopterin biosynthesis enzyme moab (TTHA0341) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3MCH
- Type
- protein
- Length
- 481 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdopterin biosynthesis enzyme, moab
- UniProt
- Q5SLF2
- Pockets
- 6 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Molybdopterin biosynthesis enzyme, moab | protein | 159 | 43% helix, 21% strand | Q5SLF2 |
| B | Molybdopterin biosynthesis enzyme, moab | protein | 163 | 42% helix, 21% strand | Q5SLF2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 476 | 0.71 | 0.82 | 43 | empty |
| 2 | 266 | 0.52 | 0.75 | 40 | empty |
| 3 | 269 | 0.52 | 0.75 | 38 | empty |
| 4 | 247 | 0.51 | 0.76 | 35 | empty |
| 5 | 155 | 0.50 | 0.78 | 23 | empty |
Interfaces
3 interfaces between chains.
- A–C · 822 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 800 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 686 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3MCH · Crystal structure of the molybdopterin biosynthesis enzyme MoaB (TTHA0341) from thermus… · 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 Q5SLF2
- Elsewhere: RCSB PDB 3MCH · PDBe 3MCH · UniProt Q5SLF2
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