MolNFT v1 · #127034 · protein
Ttua enzyme containing a [4FE-4S]
5MKQ · Ttua PH0300: “Ttua enzyme containing a [4FE-4S]”. X-ray diffraction, 2 ligands (SF4, ZN), 6 pockets (best druggability 0.77). MolNFT v1 #127034 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5MKQ
- Type
- protein
- Length
- 607 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ttua PH0300
- UniProt
- O58038
- Ligands
- SF4, ZN
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ttua PH0300 | protein | 304 | 45% helix, 13% strand | O58038 |
| B | Ttua PH0300 | protein | 303 | 45% helix, 13% strand | O58038 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1121 | 0.77 | 0.79 | 78 | SF4 |
| 2 | 1096 | 0.76 | 0.78 | 72 | SF4 |
| 3 | 146 | 0.53 | 0.80 | 24 | empty |
| 4 | 151 | 0.52 | 0.79 | 26 | empty |
| 5 | 58 | 0.28 | 0.73 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1278 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 O58038
- Elsewhere: RCSB PDB 5MKQ · PDBe 5MKQ · UniProt O58038
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