MolNFT v1 · #145797 · protein
Crystal structure of superoxide dismutase double mutant (G74Q+Q149G) from trichoderma reesei
6CYL: “Crystal structure of superoxide dismutase double mutant (G74Q+Q149G) from trichoderma reesei”. X-ray diffraction, 1 ligand (MN), 8 pockets (best druggability 0.69). MolNFT v1 #145797 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6CYL
- Type
- protein
- Length
- 787 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Superoxide dismutase
- EC
- 1.15.1.1
- UniProt
- G0RQS7
- Ligands
- MN
- Pockets
- 8 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Superoxide dismutase (EC 1.15.1.1) | protein | 196 | 59% helix, 13% strand | G0RQS7 |
| B, C | Superoxide dismutase (EC 1.15.1.1) | protein | 197 | 57% helix, 13% strand | G0RQS7 |
| D | Superoxide dismutase (EC 1.15.1.1) | protein | 197 | 58% helix, 13% strand | G0RQS7 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1072 | 0.69 | 0.74 | 122 | empty |
| 2 | 148 | 0.57 | 0.82 | 25 | empty |
| 3 | 148 | 0.56 | 0.82 | 19 | empty |
| 4 | 154 | 0.55 | 0.81 | 25 | empty |
| 5 | 158 | 0.54 | 0.80 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 934 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 929 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 900 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 841 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 227 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6CYL · Crystal Structure of Superoxide Dismutase double mutant (G74Q+Q149G) 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 6CYL · PDBe 6CYL · UniProt G0RQS7
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