MolNFT v1 · #122850 · protein

Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with N-(furan-3-ylmethyl) pyrrolidine-1-carboxamide at 1.80A resolution

5J1U: “Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex…”. X-ray diffraction, 1 ligand (P93), 1 pocket (best druggability 0.69). MolNFT v1 #122850 on GenesisL1: 3D structure…

PDB: 5J1U
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ethr
UniProt: A0A045KCS8
Ligands: P93
Pockets: 1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ethr	protein	193	79% helix, 0% strand	A0A045KCS8

Ligands and binding sites

P93 · N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide · 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	208	0.69	0.86	30	P93

Compared structures

5J1U · 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 5J1U · PDBe 5J1U · UniProt A0A045KCS8

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