MolNFT v1 · #99471 · protein
Crystal structure of ligand binding domain of cysb, a lysr member from salmonella typhimurium LT2 in complex with effector ligand, N- acetylserine.
4M4G · Hth-type transcriptional regulator cysb: “Crystal structure of ligand binding domain of cysb, a lysr member from salmonella typhimurium LT2 in complex…”. X-ray diffraction, 1 ligand (SAC), 2 pockets (best druggability 0.64). MolNFT…
- PDB
- 4M4G
- Type
- protein
- Length
- 239 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator cysb
- UniProt
- P06614
- Ligands
- SAC
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator cysb | protein | 239 | 33% helix, 26% strand | P06614 |
Ligands and binding sites
- SAC · N-acetyl-serine · ligand · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 88 | 0.64 | 0.90 | 22 | SAC |
| 2 | 77 | 0.32 | 0.74 | 20 | empty |
Compared structures
- 4M4G · Crystal structure of ligand binding domain of CysB, a LysR member from Salmonella… · the same entry in another collection · chain A against A, TM-score 1.00
- P06614 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator cysb (P06614) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P06614
- Elsewhere: RCSB PDB 4M4G · PDBe 4M4G · UniProt P06614
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