MolNFT v1 · #122438 · protein

Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex with N-((tetrahydrofuran-3-yl) METHYL)PYRROLIDINE-1-carboxamide at 1.93A resolution

5IP6 · Tetr-family transcriptional regulatory repressor protein: “Structure of transcriptional regulatory repressor protein - ethr from mycobacterium tuberculosis in complex…”. X-ray diffraction, 1 ligand (6C9), 1 pocket (best druggability…

PDB: 5IP6
Type: protein
Length: 193 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tetr-family transcriptional regulatory repressor protein
UniProt: A5U9I4
Ligands: 6C9
Pockets: 1 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 77% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tetr-family transcriptional regulatory repressor protein	protein	193	77% helix, 0% strand	A5U9I4

Ligands and binding sites

6C9 · N-{[(3S)-oxolan-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	214	0.71	0.87	30	6C9

Compared structures

5IP6 · 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 A5U9I4
Elsewhere: RCSB PDB 5IP6 · PDBe 5IP6 · UniProt A5U9I4

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