MolNFT v1 · #62157 · protein
Crystal structure of precorrin-8X methyl mutase CBIC/COBH from brucella melitensis
3E7D · Cobh, precorrin-8X methylmutase: “Crystal structure of precorrin-8X methyl mutase CBIC/COBH from brucella melitensis”. X-ray diffraction, 3 pockets (best druggability 0.84). MolNFT v1 #62157 on GenesisL1: 3D structure, binding sites…
- PDB
- 3E7D
- Type
- protein
- Length
- 813 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cobh, precorrin-8X methylmutase
- UniProt
- Q57CK9
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cobh, precorrin-8X methylmutase | protein | 202 | 53% helix, 10% strand | Q57CK9 |
| B, D | Cobh, precorrin-8X methylmutase | protein | 204 | 51% helix, 10% strand | Q57CK9 |
| C | Cobh, precorrin-8X methylmutase | protein | 203 | 53% helix, 10% strand | Q57CK9 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 805 | 0.84 | 0.87 | 113 | empty |
| 2 | 1195 | 0.76 | 0.79 | 86 | empty |
| 3 | 300 | 0.73 | 0.86 | 34 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1400 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1349 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 336 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 235 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 44 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3E7D · Crystal Structure of Precorrin-8X Methyl Mutase CbiC/CobH from Brucella melitensis · 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 Q57CK9
- Elsewhere: RCSB PDB 3E7D · PDBe 3E7D · UniProt Q57CK9
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