MolNFT v1 · #145801 · protein
Crystal structure analysis of the H75I mutant of superoxide dismutase from trichoderma reesei
6CYP: “Crystal structure analysis of the H75I mutant of superoxide dismutase from trichoderma reesei”. X-ray diffraction, 1 ligand (FE), 15 pockets (best druggability 0.70). MolNFT v1 #145801 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CYP
- Type
- protein
- Length
- 1,266 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- G0RQS7
- Ligands
- FE
- Pockets
- 15 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | Superoxide dismutase (EC 1.15.1.1) | protein | 211 | 60% helix, 12% strand | G0RQS7 |
Ligands and binding sites
- FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 766 | 0.70 | 0.76 | 60 | empty |
| 2 | 154 | 0.56 | 0.82 | 24 | empty |
| 3 | 149 | 0.56 | 0.82 | 23 | empty |
| 4 | 137 | 0.55 | 0.82 | 24 | empty |
| 5 | 146 | 0.54 | 0.81 | 22 | empty |
Interfaces
10 interfaces between chains.
- B–C · 1138 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 1138 Ų buried · 6 hydrogen bonds · protein-protein
- E–F · 1133 Ų buried · 6 hydrogen bonds · protein-protein
- D–E · 928 Ų buried · 14 hydrogen bonds · protein-protein
- A–F · 911 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 6CYP · Crystal structure analysis of the H75I mutant of Superoxide Dismutase from Trichoderma… · 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 G0RQS7
- Elsewhere: RCSB PDB 6CYP · PDBe 6CYP · UniProt G0RQS7
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