MolNFT v1 · #95723 · protein
Crystal structure of divalent ion tolerance protein CUTA1 from ehrlichia chaffeensis
4IYQ: “Crystal structure of divalent ion tolerance protein CUTA1 from ehrlichia chaffeensis”. X-ray diffraction, 1 ligand (CA), 4 pockets (best druggability 0.84). MolNFT v1 #95723 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4IYQ
- Type
- protein
- Length
- 321 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Divalent ion tolerance protein CUTA1
- UniProt
- Q2GG79
- Ligands
- CA
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Divalent ion tolerance protein CUTA1 | protein | 107 | 36% helix, 40% strand | Q2GG79 |
Ligands and binding sites
- CA · Calcium ion · metal · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 165 | 0.84 | 0.98 | 28 | empty |
| 2 | 109 | 0.49 | 0.80 | 17 | empty |
| 3 | 94 | 0.49 | 0.81 | 18 | empty |
| 4 | 95 | 0.47 | 0.81 | 15 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1062 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1009 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 968 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4IYQ · Crystal structure of divalent ion tolerance protein CutA1 from Ehrlichia chaffeensis · 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 Q2GG79
- Elsewhere: RCSB PDB 4IYQ · PDBe 4IYQ · UniProt Q2GG79
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