MolNFT v1 · #50283 · protein

The structure of a marr family protein from bacillus stearothermophilus

2RDP · Putative transcriptional regulator marr: “The structure of a marr family protein from bacillus stearothermophilus”. X-ray diffraction, 2 ligands (NA, PO4), 2 pockets (best druggability 0.31). MolNFT v1 #50283 on GenesisL1: 3D…

PDB: 2RDP
Type: protein
Length: 140 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative transcriptional regulator marr
Ligands: NA, PO4
Pockets: 2 · best druggability 0.31

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative transcriptional regulator marr	protein	140	73% helix, 8% strand	—

Ligands and binding sites

NA · Sodium ion · metal · chains A
PO4 · Phosphate ion · ion · 2 copies · chains A
BME · Beta-mercaptoethanol · additive · 2 copies · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.31	0.76	11	PO4
2	65	0.31	0.74	12	empty

Modifications

Observed in the structure: 4 modified, 1 covalent (engineered, additive adduct).

Compared structures

2RDP · The structure of a MarR family protein from Bacillus stearothermophilus · 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
Elsewhere: RCSB PDB 2RDP · PDBe 2RDP

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