MolNFT v1 · #178315 · protein
Reconstitution of mbnabc complex from rugamonas rubra atcc-43154 (groupiii)
7FC0 · Rrmbna precosur peptide: “Reconstitution of mbnabc complex from rugamonas rubra atcc-43154 (groupiii)”. X-ray diffraction, 1 ligand (FE), 8 pockets (best druggability 0.83). MolNFT v1 #178315 on GenesisL1: 3D structure, binding…
- PDB
- 7FC0
- Type
- protein
- Length
- 967 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rrmbna precosur peptide; Methanobactin biosynthesis cassette protein mbnb; Methanobactin…
- UniProt
- A0A1I4IFL0, A0A1I4IFH0
- Ligands
- FE
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Rrmbna precosur peptide | protein | 29 | 0% helix, 24% strand | — |
| E | Methanobactin biosynthesis cassette protein mbnb | protein | 264 | 44% helix, 22% strand | A0A1I4IFL0 |
| B | Methanobactin biosynthesis cassette protein mbnb | protein | 263 | 43% helix, 22% strand | A0A1I4IFL0 |
| F, C | Methanobactin biosynthesis cassette protein mbnc | protein | 191 | 41% helix, 15% strand | A0A1I4IFH0 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains E, D, B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 890 | 0.83 | 0.85 | 83 | empty |
| 2 | 1080 | 0.82 | 0.83 | 80 | empty |
| 3 | 212 | 0.72 | 0.89 | 36 | empty |
| 4 | 312 | 0.59 | 0.77 | 42 | empty |
| 5 | 99 | 0.50 | 0.81 | 14 | empty |
Interfaces
10 interfaces between chains.
- B–C · 1846 Ų buried · 26 hydrogen bonds · protein-protein
- E–F · 1832 Ų buried · 25 hydrogen bonds · protein-protein
- A–C · 1182 Ų buried · 11 hydrogen bonds · protein-protein
- F–D · 988 Ų buried · 10 hydrogen bonds · protein-protein
- E–D · 657 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 7FC0 · Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) · the same entry in another collection · chain C against C, 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 A0A1I4IFL0
- Every structure of UniProt A0A1I4IFH0
- Elsewhere: RCSB PDB 7FC0 · PDBe 7FC0 · UniProt A0A1I4IFL0 · UniProt A0A1I4IFH0
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