MolNFT v1 · #121652 · protein

Second bromodomain of TAF1 bound to a pyrrolopyridone compound

5I1Q · Transcription initiation factor tfiid subunit 1: “Second bromodomain of TAF1 bound to a pyrrolopyridone compound”. X-ray diffraction, 1 ligand (67C), 1 pocket (best druggability 0.54). MolNFT v1 #121652 on GenesisL1: 3D structure…

PDB: 5I1Q
Type: protein
Length: 135 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcription initiation factor tfiid subunit 1
UniProt: P21675
Ligands: 67C
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcription initiation factor tfiid subunit 1	protein	135	73% helix, 0% strand	P21675

Ligands and binding sites

67C · 3-[6-(but-3-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl]-N,N-dimethylbenzamide · 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	104	0.54	0.83	22	67C

Compared structures

5I1Q · Second bromodomain of TAF1 bound to a pyrrolopyridone compound · the same entry in another collection · chain A against A, TM-score 1.00
P21675 · AlphaFold monomer V2.0 prediction for transcription initiation factor tfiid subunit 1… · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P21675
Elsewhere: RCSB PDB 5I1Q · PDBe 5I1Q · UniProt P21675

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