MolNFT v1 · #94795 · protein
Grpn pentameric microcompartment shell protein from rhodospirillum rubrum
4I7A · Ethanolamine utilization protein EUTN/CARBOXYSOME…: “Grpn pentameric microcompartment shell protein from rhodospirillum rubrum”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.68). MolNFT v1 #94795 on GenesisL1: 3D…
- PDB
- 4I7A
- Type
- protein
- Length
- 423 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine utilization protein EUTN/CARBOXYSOME structural protein ccml
- UniProt
- G2TCY2
- Ligands
- CL
- Pockets
- 1 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 9% helix, 59% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ethanolamine utilization protein EUTN/CARBOXYSOME structural protein ccml | protein | 84 | 11% helix, 60% strand | G2TCY2 |
| B | Ethanolamine utilization protein EUTN/CARBOXYSOME structural protein ccml | protein | 82 | 10% helix, 60% strand | G2TCY2 |
| C | Ethanolamine utilization protein EUTN/CARBOXYSOME structural protein ccml | protein | 83 | 7% helix, 60% strand | G2TCY2 |
| D, E | Ethanolamine utilization protein EUTN/CARBOXYSOME structural protein ccml | protein | 87 | 9% helix, 57% strand | G2TCY2 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 833 | 0.68 | 0.75 | 55 | empty |
Interfaces
6 interfaces between chains.
- B–E · 1079 Ų buried · 20 hydrogen bonds · protein-protein
- D–E · 1059 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 1026 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1001 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 947 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 4I7A · GrpN pentameric microcompartment shell protein from Rhodospirillum rubrum · the same entry in another collection · chain D against D, 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 G2TCY2
- Elsewhere: RCSB PDB 4I7A · PDBe 4I7A · UniProt G2TCY2
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