MolNFT v1 · #120715 · protein
Crystal structure of geobacter metallireducens SMUG1
5H93: “Crystal structure of geobacter metallireducens SMUG1”. X-ray diffraction, 14 pockets (best druggability 0.79). MolNFT v1 #120715 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H93
- Type
- protein
- Length
- 931 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geobacter metallireducens SMUG1
- UniProt
- Q39ZI0
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geobacter metallireducens SMUG1 | protein | 233 | 47% helix, 12% strand | Q39ZI0 |
| B | Geobacter metallireducens SMUG1 | protein | 232 | 48% helix, 12% strand | Q39ZI0 |
| C | Geobacter metallireducens SMUG1 | protein | 230 | 48% helix, 12% strand | Q39ZI0 |
| D | Geobacter metallireducens SMUG1 | protein | 236 | 50% helix, 13% strand | Q39ZI0 |
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 91 | 0.79 | 0.99 | 23 | empty |
| 2 | 90 | 0.78 | 0.99 | 23 | empty |
| 3 | 82 | 0.78 | 0.99 | 22 | empty |
| 4 | 81 | 0.77 | 0.98 | 22 | empty |
| 5 | 616 | 0.67 | 0.77 | 86 | empty |
Interfaces
5 interfaces between chains.
- B–C · 510 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 458 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 391 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 96 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5H93 · Crystal structure of Geobacter metallireducens SMUG1 · 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 Q39ZI0
- Elsewhere: RCSB PDB 5H93 · PDBe 5H93 · UniProt Q39ZI0
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