MolNFT v1 · #188117 · protein
Methanobactin biosynthetic protein complex of mbnb and mbnc from methylosinus trichosporium OB3B at 2.62 ångström resolution
7TCR · Methanobactin biosynthesis cassette protein mbnb: “Methanobactin biosynthetic protein complex of mbnb and mbnc from methylosinus trichosporium OB3B at 2.62…”. X-ray diffraction, 2 ligands (FE, SO4), 9 pockets (best druggability…
- PDB
- 7TCR
- Type
- protein
- Length
- 914 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methanobactin biosynthesis cassette protein mbnb; Methanobactin biosynthesis cassette…
- UniProt
- A0A2D2D5M1, A0A2D2CY73
- Ligands
- FE, SO4
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methanobactin biosynthesis cassette protein mbnb | protein | 263 | 43% helix, 22% strand | A0A2D2D5M1 |
| C, D | Methanobactin biosynthesis cassette protein mbnc | protein | 194 | 42% helix, 14% strand | A0A2D2CY73 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, D, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1082 | 0.80 | 0.81 | 104 | empty |
| 2 | 1188 | 0.76 | 0.79 | 93 | FE, SO4 |
| 3 | 1149 | 0.76 | 0.78 | 86 | FE, SO4 |
| 4 | 128 | 0.39 | 0.74 | 18 | empty |
| 5 | 65 | 0.38 | 0.80 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2185 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 2181 Ų buried · 23 hydrogen bonds · protein-protein
- A–B · 516 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7TCR · Methanobactin biosynthetic protein complex of MbnB and MbnC from Methylosinus… · 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 A0A2D2D5M1
- Every structure of UniProt A0A2D2CY73
- Elsewhere: RCSB PDB 7TCR · PDBe 7TCR · UniProt A0A2D2D5M1 · UniProt A0A2D2CY73
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