MolNFT v1 · #26803 · protein
Crystal structure of isca with the [2FE-2S] cluster
1X0G: “Crystal structure of isca with the [2FE-2S] cluster”. X-ray diffraction, 2 ligands (FES, NA), 7 pockets (best druggability 0.72). MolNFT v1 #26803 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1X0G
- Type
- protein
- Length
- 427 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isca
- UniProt
- Q8DLM0
- Ligands
- FES, NA
- Pockets
- 7 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 16% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isca | protein | 102 | 13% helix, 41% strand | Q8DLM0 |
| B | Isca | protein | 110 | 19% helix, 45% strand | Q8DLM0 |
| C | Isca | protein | 111 | 15% helix, 39% strand | Q8DLM0 |
| D | Isca | protein | 104 | 15% helix, 47% strand | Q8DLM0 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, D, B, C
- NA · Sodium ion · metal · 2 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 77 | 0.72 | 0.96 | 28 | empty |
| 2 | 373 | 0.59 | 0.76 | 45 | empty |
| 3 | 191 | 0.52 | 0.78 | 29 | empty |
| 4 | 177 | 0.49 | 0.76 | 28 | empty |
| 5 | 123 | 0.46 | 0.79 | 17 | empty |
Interfaces
6 interfaces between chains.
- B–D · 4232 Ų buried · 80 hydrogen bonds · protein-protein
- B–C · 1052 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 916 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 772 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 705 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1X0G · Crystal Structure of IscA with the [2Fe-2S] cluster · 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 Q8DLM0
- Elsewhere: RCSB PDB 1X0G · PDBe 1X0G · UniProt Q8DLM0
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