MolNFT v1 · #3258 · protein
Three dimensional crystal structures of E. COLI met repressor with and without corepressor
1CMC: “Three dimensional crystal structures of E. COLI met repressor with and without corepressor”. X-ray diffraction, 2 ligands (SAM, MG), 2 pockets (best druggability 0.45). MolNFT v1 #3258 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1CMC
- Type
- protein
- Length
- 208 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Met repressor
- UniProt
- P0A8U6
- Ligands
- SAM, MG
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Met repressor | protein | 104 | 41% helix, 14% strand | P0A8U6 |
Ligands and binding sites
- SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.45 | 0.83 | 13 | SAM |
| 2 | 57 | 0.40 | 0.81 | 13 | SAM |
Interfaces
1 interface between chains.
- A–B · 1839 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1CMC · Three dimensional crystal structures of E. COLI met repressor with and without corepressor · the same entry in another collection · chain A against A, TM-score 1.00
- P0A8U6 · AlphaFold monomer V2.0 prediction for met repressor (P0A8U6) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P0A8U6
- Elsewhere: RCSB PDB 1CMC · PDBe 1CMC · UniProt P0A8U6
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