MolNFT v1 · #152652 · protein
The ligand binding domain of MLP37 with arginine
6IOV · Methyl-accepting chemotaxis (mcp) signaling domain protein: “The ligand binding domain of MLP37 with arginine”. X-ray diffraction, 1 ligand (ARG), 5 pockets (best druggability 0.63). MolNFT v1 #152652 on GenesisL1: 3D structure…
- PDB
- 6IOV
- Type
- protein
- Length
- 447 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis (mcp) signaling domain protein
- UniProt
- A0A085T373
- Ligands
- ARG
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis (mcp) signaling domain protein | protein | 224 | 35% helix, 29% strand | A0A085T373 |
| B | Methyl-accepting chemotaxis (mcp) signaling domain protein | protein | 223 | 35% helix, 30% strand | A0A085T373 |
Ligands and binding sites
- ARG · Arginine · ligand · 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 | 387 | 0.63 | 0.78 | 77 | empty |
| 2 | 62 | 0.40 | 0.80 | 17 | ARG |
| 3 | 54 | 0.34 | 0.78 | 13 | empty |
| 4 | 58 | 0.34 | 0.77 | 11 | empty |
| 5 | 55 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1078 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6IOV · The ligand binding domain of Mlp37 with arginine · the same entry in another collection · chain B against B, 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 A0A085T373
- Elsewhere: RCSB PDB 6IOV · PDBe 6IOV · UniProt A0A085T373
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