MolNFT v1 · #44170 · protein

NMR structure of MDM2 (6-125) with pip-1

2LZG · E3 ubiquitin-protein ligase MDM2: “NMR structure of MDM2 (6-125) with pip-1”. Solution nmr, 1 ligand (13Q), 2 pockets (best druggability 0.61). MolNFT v1 #44170 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2LZG
Type: protein
Length: 125 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: E3 ubiquitin-protein ligase MDM2
UniProt: Q00987
Ligands: 13Q
Pockets: 2 · best druggability 0.61

Structure

solution nmr · 1 distinct chain · 27% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	E3 ubiquitin-protein ligase MDM2	protein	125	27% helix, 7% strand	Q00987

Ligands and binding sites

13Q · [(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-(cyclopropylmethyl)-2-oxopiperidin-3-yl]acetic acid · ligand · chains A

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	167	0.61	0.83	22	13Q
2	52	0.26	0.74	13	empty

Compared structures

2LZG · NMR Structure of Mdm2 (6-125) with Pip-1 · the same entry in another collection · chain A against A, TM-score 1.00

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 Q00987
Elsewhere: RCSB PDB 2LZG · PDBe 2LZG · UniProt Q00987

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