MolNFT v1 · #87998 · protein
Structure of inner membrane complex (imc) sub-compartment protein 1 (ISP1) from toxoplasma gondii
4CHM · Imc sub-compartment protein ISP1: “Structure of inner membrane complex (imc) sub-compartment protein 1 (ISP1) from toxoplasma gondii”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.71). MolNFT v1 #87998 on…
- PDB
- 4CHM
- Type
- protein
- Length
- 499 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Imc sub-compartment protein ISP1
- UniProt
- S8GCI7
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Imc sub-compartment protein ISP1 | protein | 125 | 30% helix, 35% strand | S8GCI7 |
| B | Imc sub-compartment protein ISP1 | protein | 124 | 30% helix, 36% strand | S8GCI7 |
| C | Imc sub-compartment protein ISP1 | protein | 125 | 30% helix, 35% strand | S8GCI7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, D, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.71 | 0.91 | 21 | empty |
| 2 | 144 | 0.69 | 0.89 | 26 | empty |
| 3 | 753 | 0.68 | 0.76 | 69 | SO4 |
| 4 | 143 | 0.55 | 0.82 | 30 | SO4 |
| 5 | 97 | 0.39 | 0.76 | 21 | empty |
Interfaces
4 interfaces between chains.
- A–D · 1186 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1147 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1038 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4CHM · Structure of Inner Membrane Complex (IMC) Sub-compartment Protein 1 (ISP1) from… · 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 S8GCI7
- Elsewhere: RCSB PDB 4CHM · PDBe 4CHM · UniProt S8GCI7
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