MolNFT v1 · #27771 · protein

Crystal structure of cisk-px domain with sulfates

1XTN · SERINE/THREONINE-protein kinase SGK3: “Crystal structure of cisk-px domain with sulfates”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.48). MolNFT v1 #27771 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 1XTN
Type: protein
Length: 224 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SERINE/THREONINE-protein kinase SGK3
EC: 2.7.1.37
UniProt: Q9ERE3
Ligands: SO4
Pockets: 4 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SERINE/THREONINE-protein kinase SGK3 (EC 2.7.1.37)	protein	111	38% helix, 29% strand	Q9ERE3
B	SERINE/THREONINE-protein kinase SGK3 (EC 2.7.1.37)	protein	113	36% helix, 28% strand	Q9ERE3

Ligands and binding sites

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

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	214	0.48	0.75	27	empty
2	61	0.38	0.79	14	SO4
3	60	0.33	0.77	15	SO4
4	65	0.27	0.72	13	empty

Interfaces

1 interface between chains.

A–B · 468 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

1XTN · crystal structure of CISK-PX domain with sulfates · the same entry in another collection · chain A against A, TM-score 1.00
Q9ERE3 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase SGK3 (Q9ERE3) · 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 Q9ERE3
Elsewhere: RCSB PDB 1XTN · PDBe 1XTN · UniProt Q9ERE3

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