MolNFT v1 · #3874 · protein

Phosphorylated fixj receiver domain

1D5W · Transcriptional regulatory protein fixj: “Phosphorylated fixj receiver domain”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.36). MolNFT v1 #3874 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1D5W
Type: protein
Length: 367 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulatory protein fixj
UniProt: P10958
Ligands: SO4
Pockets: 4 · best druggability 0.36

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulatory protein fixj	protein	123	43% helix, 20% strand	P10958
B, C	Transcriptional regulatory protein fixj	protein	122	44% helix, 20% strand	P10958

Ligands and binding sites

SO4 · Sulfate ion · ion · 4 copies · chains A, B, C

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	52	0.36	0.79	17	empty
2	87	0.34	0.74	18	empty
3	60	0.34	0.77	17	empty
4	57	0.34	0.77	18	empty

Interfaces

2 interfaces between chains.

A–B · 865 Å² buried · 12 hydrogen bonds · protein-protein
B–C · 458 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (phosphorylation).

Compared structures

1D5W · Phosphorylated fixj receiver domain · the same entry in another collection · chain A against A, TM-score 1.00
P10958 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein fixj (P10958) · a predicted model of the same protein · chain C against A, TM-score 0.97

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 P10958
Elsewhere: RCSB PDB 1D5W · PDBe 1D5W · UniProt P10958

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