MolNFT v1 · #118334 · protein

Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with compound 5 at 1.57A resolution

5EYR: “Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex…”. X-ray diffraction, 1 ligand (5T0), 1 pocket (best druggability 0.74). MolNFT v1 #118334 on GenesisL1: 3D structure…

PDB: 5EYR
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ethr
UniProt: A0A045KCS8
Ligands: 5T0
Pockets: 1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ethr	protein	193	78% helix, 0% strand	A0A045KCS8

Ligands and binding sites

5T0 · 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	201	0.74	0.89	29	5T0

Compared structures

5EYR · Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium… · 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 A0A045KCS8
Elsewhere: RCSB PDB 5EYR · PDBe 5EYR · UniProt A0A045KCS8

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