MolNFT v1 · #120717 · protein
Crystal structure of geobacter metallireducens SMUG1
5H98: “Crystal structure of geobacter metallireducens SMUG1”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #120717 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5H98
- Type
- protein
- Length
- 412 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Geobacter metallireducens SMUG1
- UniProt
- Q39ZI0
- Pockets
- 4 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Geobacter metallireducens SMUG1 | protein | 215 | 53% helix, 13% strand | Q39ZI0 |
| B | Geobacter metallireducens SMUG1 | protein | 197 | 51% helix, 12% strand | Q39ZI0 |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 142 | 0.81 | 0.97 | 31 | empty |
| 2 | 336 | 0.75 | 0.86 | 50 | empty |
| 3 | 438 | 0.65 | 0.78 | 60 | empty |
| 4 | 111 | 0.39 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 260 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5H98 · 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 5H98 · PDBe 5H98 · UniProt Q39ZI0
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