Research workbench
Crystal structure of the shewanella oneidensis MR1 mtrc mutant H561M
Analyse Crystal structure of the shewanella oneidensis MR1 mtrc mutant H561M in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7O7G
- Type
- protein
- Length
- 627 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Extracellular iron oxide respiratory system surface decaheme cytochrome C component mtrc
- UniProt
- Q8EG34
- Ligands
- HEC, CA
- Pockets
- 6 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Extracellular iron oxide respiratory system surface decaheme cytochrome C component mtrc | protein | 627 | 23% helix, 25% strand | Q8EG34 |
Ligands and binding sites
- HEC · Heme C · ligand · 10 copies · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
- ACT · Acetate ion · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 774 | 0.87 | 0.89 | 90 | HEC |
| 2 | 904 | 0.86 | 0.88 | 108 | HEC, EDO |
| 3 | 68 | 0.35 | 0.77 | 21 | CA, ACT |
| 4 | 60 | 0.32 | 0.77 | 18 | empty |
| 5 | 61 | 0.32 | 0.76 | 17 | EDO |
Modifications
Observed in the structure: 20 cofactor, 1 disulfide (heme c attachment, disulfide).
Compared structures
- 7O7G · Crystal structure of the Shewanella oneidensis MR1 MtrC mutant H561M · 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 Q8EG34
- Elsewhere: RCSB PDB 7O7G · PDBe 7O7G · UniProt Q8EG34
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