MolNFT v1 · #9725 · protein
Structure of chea domain P4 in complex with adpnp and manganese
1I5B · Chemotaxis protein chea: “Structure of chea domain P4 in complex with adpnp and manganese”. X-ray diffraction, 2 ligands (ANP, MN), 4 pockets (best druggability 0.69). MolNFT v1 #9725 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1I5B
- Type
- protein
- Length
- 359 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chea
- EC
- 2.7.3.-
- UniProt
- Q56310
- Ligands
- ANP, MN
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemotaxis protein chea (EC 2.7.3.-) | protein | 180 | 42% helix, 26% strand | Q56310 |
| B | Chemotaxis protein chea (EC 2.7.3.-) | protein | 179 | 40% helix, 26% strand | Q56310 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 261 | 0.69 | 0.84 | 29 | MN, ANP |
| 2 | 364 | 0.67 | 0.81 | 44 | ACT, MN, ANP |
| 3 | 137 | 0.45 | 0.77 | 28 | empty |
| 4 | 50 | 0.30 | 0.76 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 412 Ų buried · 1 hydrogen bond · 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 Q56310
- Elsewhere: RCSB PDB 1I5B · PDBe 1I5B · UniProt Q56310
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