MolNFT v1 · #110744 · protein

Transcription factor

4Y5U · Signal transducer and activator of transcription 6: “Transcription factor”. X-ray diffraction, 1 ligand (NI), 11 pockets (best druggability 0.66). MolNFT v1 #110744 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4Y5U
Type: protein
Length: 883 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Signal transducer and activator of transcription 6
UniProt: P42226
Ligands: NI
Pockets: 11 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Signal transducer and activator of transcription 6	protein	445	39% helix, 23% strand	P42226
B	Signal transducer and activator of transcription 6	protein	438	41% helix, 24% strand	P42226

Ligands and binding sites

NI · Nickel (II) ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	343	0.66	0.80	30	empty
2	324	0.65	0.81	33	empty
3	127	0.52	0.81	23	empty
4	173	0.52	0.79	30	empty
5	82	0.46	0.81	16	empty

Interfaces

1 interface between chains.

A–B · 1359 Å² buried · 30 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

4Y5U · Transcription factor · the same entry in another collection · chain A against A, TM-score 1.00
P42226 · AlphaFold monomer V2.0 prediction for signal transducer and activator of transcription 6… · a predicted model of the same protein · chain B 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 P42226
Elsewhere: RCSB PDB 4Y5U · PDBe 4Y5U · UniProt P42226

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