MolNFT v1 · #139643 · protein
Crystal structure of the C-terminal domain of CHER1 containing sah
5XLX · Chemotaxis protein methyltransferase 1: “Crystal structure of the C-terminal domain of CHER1 containing sah”. X-ray diffraction, 1 ligand (SAH), 4 pockets (best druggability 0.79). MolNFT v1 #139643 on GenesisL1: 3D structure…
- PDB
- 5XLX
- Type
- protein
- Length
- 804 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein methyltransferase 1
- EC
- 2.1.1.80
- UniProt
- O87131
- Ligands
- SAH
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Chemotaxis protein methyltransferase 1 (EC 2.1.1.80) | protein | 201 | 38% helix, 27% strand | O87131 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 4 copies · chains A, B, C, D
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 | 990 | 0.79 | 0.81 | 99 | SAH |
| 2 | 682 | 0.74 | 0.80 | 70 | SAH |
| 3 | 160 | 0.45 | 0.76 | 24 | empty |
| 4 | 127 | 0.39 | 0.74 | 21 | empty |
Interfaces
5 interfaces between chains.
- C–D · 413 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 406 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 339 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 210 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 175 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5XLX · Crystal structure of the C-terminal domain of CheR1 containing SAH · the same entry in another collection · chain B against B, TM-score 1.00
- O87131 · AlphaFold monomer V2.0 prediction for chemotaxis protein methyltransferase 1 (O87131) · a predicted model of the same protein · chain D against A, TM-score 0.99
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 O87131
- Elsewhere: RCSB PDB 5XLX · PDBe 5XLX · UniProt O87131
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