MolNFT v1 · #65981 · protein
Crystal structure of probable maltose operon transcriptional repressor malr from staphylococcus areus
3HCW: “Crystal structure of probable maltose operon transcriptional repressor malr from staphylococcus areus”. X-ray diffraction, 6 pockets (best druggability 0.77). MolNFT v1 #65981 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3HCW
- Type
- protein
- Length
- 565 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maltose operon transcriptional repressor
- UniProt
- Q99TY5
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Maltose operon transcriptional repressor | protein | 283 | 45% helix, 20% strand | Q99TY5 |
| B | Maltose operon transcriptional repressor | protein | 282 | 45% helix, 20% strand | Q99TY5 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.77 | 0.81 | 48 | empty |
| 2 | 380 | 0.74 | 0.85 | 50 | GOL |
| 3 | 310 | 0.73 | 0.86 | 49 | GOL |
| 4 | 137 | 0.51 | 0.80 | 31 | empty |
| 5 | 53 | 0.38 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1416 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3HCW · CRYSTAL STRUCTURE OF PROBABLE maltose operon transcriptional repressor malR FROM… · 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 Q99TY5
- Elsewhere: RCSB PDB 3HCW · PDBe 3HCW · UniProt Q99TY5
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