MolNFT v1 · #40559 · protein
Benzylpenicilloyl-acylated MECR1 extracellular antibiotic-sensor domain.
2IWC · Methicillin resistance MECR1 protein: “Benzylpenicilloyl-acylated MECR1 extracellular antibiotic-sensor domain.”. X-ray diffraction, 1 ligand (PNM), 1 pocket (best druggability 0.39). MolNFT v1 #40559 on GenesisL1: 3D structure…
- PDB
- 2IWC
- Type
- protein
- Length
- 255 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methicillin resistance MECR1 protein
- UniProt
- P0A0B0
- Ligands
- PNM
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methicillin resistance MECR1 protein | protein | 255 | 38% helix, 25% strand | P0A0B0 |
Ligands and binding sites
- PNM · Open form - penicillin G · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.39 | 0.73 | 29 | PNM |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2IWC · Benzylpenicilloyl-acylated MecR1 extracellular antibiotic-sensor domain. · the same entry in another collection · chain A against A, TM-score 1.00
- P0A0B0 · AlphaFold monomer V2.0 prediction for methicillin resistance MECR1 protein (P0A0B0) · a predicted model of the same protein · chain A 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 P0A0B0
- Elsewhere: RCSB PDB 2IWC · PDBe 2IWC · UniProt P0A0B0
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