MolNFT v1 · #71134 · protein

Structure of the 14-3-3/PMA2 complex stabilized by PYRROLIDONE1

3M51 · 14-3-3-like protein C: “Structure of the 14-3-3/PMA2 complex stabilized by PYRROLIDONE1”. X-ray diffraction, 1 ligand (YR1), 2 pockets (best druggability 0.68). MolNFT v1 #71134 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3M51
Type: protein
Length: 250 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 14-3-3-like protein C; N.PLUMBAGINIFOLIA H+-translocating ATPase mRNA
UniProt: P93343, Q42932
Ligands: YR1
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	14-3-3-like protein C	protein	219	84% helix, 0% strand	P93343
P	N.PLUMBAGINIFOLIA H+-translocating ATPase mRNA	protein	31	35% helix, 0% strand	Q42932

Ligands and binding sites

YR1 · 2-hydroxy-5-[(5S)-3-hydroxy-5-(4-nitrophenyl)-2-oxo-4-(phenylcarbonyl)-2,5-dihydro-1H-pyrrol-1-yl]benzoic acid · ligand · chains A, P

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	397	0.68	0.81	35	YR1
2	150	0.46	0.77	17	empty

Interfaces

1 interface between chains.

A–P · 1039 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3M51 · Structure of the 14-3-3/PMA2 complex stabilized by Pyrrolidone1 · the same entry in another collection · chain A against A, TM-score 1.00
P93343 · AlphaFold monomer V2.0 prediction for 14-3-3-like protein C (P93343) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P93343
Every structure of UniProt Q42932
Elsewhere: RCSB PDB 3M51 · PDBe 3M51 · UniProt P93343 · UniProt Q42932

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