MolNFT v1 · #152651 · protein
The ligand binding domain of MLP24 with serine
6IOU · Methyl-accepting chemotaxis protein: “The ligand binding domain of MLP24 with serine”. X-ray diffraction, 2 ligands (SER, CA), 5 pockets (best druggability 0.66). MolNFT v1 #152651 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6IOU
- Type
- protein
- Length
- 474 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- A0A0H6VSA0
- Ligands
- SER, CA
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Methyl-accepting chemotaxis protein | protein | 237 | 37% helix, 30% strand | A0A0H6VSA0 |
Ligands and binding sites
- SER · Serine · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 597 | 0.66 | 0.76 | 56 | TRS |
| 2 | 60 | 0.49 | 0.86 | 27 | empty |
| 3 | 83 | 0.42 | 0.79 | 14 | empty |
| 4 | 74 | 0.41 | 0.80 | 20 | empty |
| 5 | 70 | 0.40 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 935 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6IOU · The ligand binding domain of Mlp24 with serine · 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 A0A0H6VSA0
- Elsewhere: RCSB PDB 6IOU · PDBe 6IOU · UniProt A0A0H6VSA0
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