MolNFT v1 · #41213 · protein

Crystal structure of yegs in complex with ADP

2JGR: “Crystal structure of yegs in complex with ADP”. X-ray diffraction, 1 ligand (POP), 3 pockets (best druggability 0.45). MolNFT v1 #41213 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2JGR
Type: protein
Length: 261 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Yegs
UniProt: P76407
Ligands: POP
Pockets: 3 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 19% helix, 41% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Yegs	protein	261	19% helix, 41% strand	P76407

Ligands and binding sites

POP · Pyrophosphate 2- · ligand · chains A

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

Pockets

3 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	175	0.45	0.76	35	POP
2	96	0.38	0.76	18	empty
3	67	0.34	0.76	15	empty

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

2JGR · Crystal structure of YegS in complex with ADP · the same entry in another collection · chain A against A, TM-score 1.00
P76407 · AlphaFold monomer V2.0 prediction for lipid kinase yegs (P76407) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P76407
Elsewhere: RCSB PDB 2JGR · PDBe 2JGR · UniProt P76407

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