MolNFT v1 · #106367 · protein
Crystal structure of antibiotic-resistance methyltransferase kmr
4RX1 · Putative rRNA methyltransferase: “Crystal structure of antibiotic-resistance methyltransferase kmr”. X-ray diffraction, 1 ligand (IOD), 6 pockets (best druggability 0.79). MolNFT v1 #106367 on GenesisL1: 3D structure, binding sites…
- PDB
- 4RX1
- Type
- protein
- Length
- 411 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative rRNA methyltransferase
- EC
- 2.1.1.179
- UniProt
- B2L3G9
- Ligands
- IOD
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative rRNA methyltransferase (EC 2.1.1.179) | protein | 213 | 36% helix, 29% strand | B2L3G9 |
| B | Putative rRNA methyltransferase (EC 2.1.1.179) | protein | 198 | 36% helix, 31% strand | B2L3G9 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.79 | 0.83 | 69 | IOD |
| 2 | 128 | 0.58 | 0.84 | 21 | IOD |
| 3 | 104 | 0.51 | 0.82 | 18 | empty |
| 4 | 97 | 0.48 | 0.81 | 19 | IOD, GOL |
| 5 | 66 | 0.38 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1404 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 4RX1 · Crystal Structure of antibiotic-resistance methyltransferase Kmr · 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 B2L3G9
- Elsewhere: RCSB PDB 4RX1 · PDBe 4RX1 · UniProt B2L3G9
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