MolNFT v1 · #188321 · protein
Crystal structure of bifunctional adenosylcobalamin biosynthesis protein from klebsiella pneumoniae
7TM8: “Crystal structure of bifunctional adenosylcobalamin biosynthesis protein from klebsiella pneumoniae”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.69). MolNFT v1 #188321 on GenesisL1: 3D structure, binding sites…
- PDB
- 7TM8
- Type
- protein
- Length
- 502 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional adenosylcobalamin biosynthesis protein
- EC
- 2.7.1.156, 2.7.7.62
- UniProt
- A0A0H3GSH0
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional adenosylcobalamin biosynthesis protein (EC 2.7.1.156, 2.7.7.62) | protein | 166 | 41% helix, 23% strand | A0A0H3GSH0 |
| B | Bifunctional adenosylcobalamin biosynthesis protein (EC 2.7.1.156, 2.7.7.62) | protein | 167 | 40% helix, 22% strand | A0A0H3GSH0 |
| C | Bifunctional adenosylcobalamin biosynthesis protein (EC 2.7.1.156, 2.7.7.62) | protein | 169 | 40% helix, 22% strand | A0A0H3GSH0 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 7 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 716 | 0.69 | 0.77 | 80 | SO4 |
| 2 | 242 | 0.51 | 0.75 | 31 | SO4 |
Interfaces
3 interfaces between chains.
- B–C · 789 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 782 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 756 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7TM8 · Crystal structure of Bifunctional adenosylcobalamin biosynthesis protein from Klebsiella… · 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 A0A0H3GSH0
- Elsewhere: RCSB PDB 7TM8 · PDBe 7TM8 · UniProt A0A0H3GSH0
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