MolNFT v1 · #162558 · protein

TETR(D) H100A mutant in complex with doxycycline and magnesium

6RCR · Tetracycline repressor protein class D: “TETR(D) H100A mutant in complex with doxycycline and magnesium”. X-ray diffraction, 3 ligands (DXT, MG, CL), 3 pockets (best druggability 0.68). MolNFT v1 #162558 on GenesisL1: 3D structure…

PDB: 6RCR
Type: protein
Length: 198 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetracycline repressor protein class D
UniProt: P0ACT4
Ligands: DXT, MG, CL
Pockets: 3 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetracycline repressor protein class D	protein	198	72% helix, 0% strand	P0ACT4

Ligands and binding sites

DXT · (4s,4ar,5s,5ar,6r,12as)-4-(dimethylamino)-3,5,10,12,12A-pentahydroxy-6-methyl-1,11-dioxo-1,4,4A,5,5A,6,11,12A-octahydrotetracene-2-carboxamide · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	384	0.68	0.81	35	DXT, MG
2	53	0.32	0.77	11	empty
3	74	0.31	0.74	18	empty

Compared structures

6RCR · TETR(D) H100A mutant in complex with doxycycline and magnesium · 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 P0ACT4
Elsewhere: RCSB PDB 6RCR · PDBe 6RCR · UniProt P0ACT4

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