MolNFT v1 · #68556 · protein

Human mdmx liganded with a 12MER peptide inhibitor (pdiq)

3JZQ · Protein MDM4: “Human mdmx liganded with a 12MER peptide inhibitor (pdiq)”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.43). MolNFT v1 #68556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3JZQ
Type: protein
Length: 195 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein MDM4; Pdiq peptide (12MER)
UniProt: O15151
Ligands: SO4
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein MDM4	protein	84	46% helix, 15% strand	O15151
P, Q	Pdiq peptide (12MER)	protein	12	50% helix, 0% strand	—
B	Protein MDM4	protein	87	46% helix, 20% strand	O15151

Ligands and binding sites

SO4 · Sulfate ion · ion · chains B, Q

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

Pockets

2 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	112	0.43	0.77	23	empty
2	55	0.28	0.74	12	empty

Interfaces

3 interfaces between chains.

A–P · 574 Å² buried · 4 hydrogen bonds · protein-protein
B–Q · 564 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 459 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3JZQ · Human MDMX liganded with a 12mer peptide inhibitor (pDIQ) · the same entry in another collection · chain A against A, TM-score 1.00
O15151 · AlphaFold monomer V2.0 prediction for protein MDM4 (O15151) · 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 O15151
Elsewhere: RCSB PDB 3JZQ · PDBe 3JZQ · UniProt O15151

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