MolNFT v1 · #31022 · protein
Crystal structure of a putative cobalamin adenosyltransferase (BH1595) from bacillus halodurans C-125 at 1.60 a resolution
2AH6 · BH1595, unknown conserved protein: “Crystal structure of a putative cobalamin adenosyltransferase (BH1595) from bacillus halodurans C-125 at 1.60…”. X-ray diffraction, 1 ligand (NO3), 5 pockets (best druggability 0.83). MolNFT v1…
- PDB
- 2AH6
- Type
- protein
- Length
- 475 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH1595, unknown conserved protein
- UniProt
- Q9KCH6
- Ligands
- NO3
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH1595, unknown conserved protein | protein | 151 | 73% helix, 3% strand | Q9KCH6 |
| B | BH1595, unknown conserved protein | protein | 162 | 65% helix, 2% strand | Q9KCH6 |
| C | BH1595, unknown conserved protein | protein | 162 | 67% helix, 4% strand | Q9KCH6 |
Ligands and binding sites
- NO3 · Nitrate ion · ion · 3 copies · chains B, C, A
- EDO · 1,2-ethanediol · additive · 3 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 186 | 0.83 | 0.98 | 28 | empty |
| 2 | 456 | 0.67 | 0.79 | 41 | NO3 |
| 3 | 136 | 0.55 | 0.82 | 21 | empty |
| 4 | 203 | 0.49 | 0.76 | 28 | empty |
| 5 | 193 | 0.46 | 0.75 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 899 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 897 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 896 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 2AH6 · Crystal structure of a putative cobalamin adenosyltransferase (bh1595) from bacillus… · 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 Q9KCH6
- Elsewhere: RCSB PDB 2AH6 · PDBe 2AH6 · UniProt Q9KCH6
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