MolNFT v1 · #65170 · protein
Crystal structure of putative merr family transcriptional regulator from listeria monocytogenes
3GP4 · Transcriptional regulator, merr family: “Crystal structure of putative merr family transcriptional regulator from listeria monocytogenes”. X-ray diffraction, 2 ligands (MED, NA), 2 pockets (best druggability 0.60). MolNFT v1 #65170…
- PDB
- 3GP4
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, merr family
- UniProt
- Q71W36
- Ligands
- MED, NA
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 76% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, merr family | protein | 132 | 77% helix, 3% strand | Q71W36 |
| B | Transcriptional regulator, merr family | protein | 130 | 75% helix, 5% strand | Q71W36 |
Ligands and binding sites
- MED · D-methionine · ligand · chains A, B
- NA · Sodium ion · metal · chains B
- GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 152 | 0.60 | 0.83 | 18 | empty |
| 2 | 96 | 0.40 | 0.76 | 14 | MED |
Interfaces
1 interface between chains.
- A–B · 1928 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3GP4 · Crystal structure of putative MerR family transcriptional regulator from listeria… · the same entry in another collection · chain B against B, 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 Q71W36
- Elsewhere: RCSB PDB 3GP4 · PDBe 3GP4 · UniProt Q71W36
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