MolNFT v1 · #49493 · protein
Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5
2QQ1 · Molybdenum cofactor biosynthesis mog: “Crystal structure of molybdenum cofactor biosynthesis (AQ_061) other form from aquifex aeolicus VF5”. X-ray diffraction, 10 pockets (best druggability 0.76). MolNFT v1 #49493 on GenesisL1: 3D…
- PDB
- 2QQ1
- Type
- protein
- Length
- 1,045 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Molybdenum cofactor biosynthesis mog
- UniProt
- O66472
- Pockets
- 10 · best druggability 0.76
Structure
x-ray diffraction · 5 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Molybdenum cofactor biosynthesis mog | protein | 176 | 44% helix, 19% strand | O66472 |
| B, C | Molybdenum cofactor biosynthesis mog | protein | 173 | 45% helix, 19% strand | O66472 |
| D | Molybdenum cofactor biosynthesis mog | protein | 175 | 45% helix, 19% strand | O66472 |
| E | Molybdenum cofactor biosynthesis mog | protein | 174 | 44% helix, 19% strand | O66472 |
| F | Molybdenum cofactor biosynthesis mog | protein | 174 | 43% helix, 20% strand | O66472 |
Pockets
10 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 797 | 0.76 | 0.80 | 51 | empty |
| 2 | 506 | 0.71 | 0.80 | 38 | empty |
| 3 | 501 | 0.70 | 0.80 | 43 | empty |
| 4 | 107 | 0.70 | 0.92 | 22 | empty |
| 5 | 523 | 0.66 | 0.77 | 37 | empty |
Interfaces
8 interfaces between chains.
- E–F · 815 Ų buried · 10 hydrogen bonds · protein-protein
- D–F · 795 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 777 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 767 Ų buried · 9 hydrogen bonds · protein-protein
- D–E · 767 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2QQ1 · Crystal Structure Of Molybdenum Cofactor Biosynthesis (aq_061) Other Form From Aquifex… · 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 O66472
- Elsewhere: RCSB PDB 2QQ1 · PDBe 2QQ1 · UniProt O66472
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