7NUS: HDM2/CMR19

X-RAY STRUCTURE OF HDM2/CMR19 AT 1.45A: Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors. Determined by X-ray diffraction at 1.45 Å resolution. Released 22 Sept 2021.

Method: X-ray diffraction
Resolution: 1.45 Å
Organisms: Homo sapiens, synthetic construct
Chains: 6
Atoms: 3,159
Mol. weight: 39.4 kDa
Released: 22 Sept 2021

Explore 7NUS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7NUS contains 17 α-helices and 18 β-strands across 6 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chains A and B: 4 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	27-30	4	1
α-helix	32-40	9
β-strand	48-49	2	1
α-helix	50-63	14
β-strand	67-68	2	2
β-strand	71-76	6	2
α-helix	81-86	6
β-strand	90-92	3	2
α-helix	96-104	9
β-strand	107-109	3	1

Chain C: 6 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	18-20	3
α-helix	21-25	5
β-strand	27-30	4	5
α-helix	32-40	9
β-strand	48-49	2	5
α-helix	50-63	14
β-strand	67	1	6
β-strand	74-76	3	6
α-helix	81-86	6
β-strand	90-92	3	6
α-helix	96-104	9
β-strand	107-109	3	5

Chains D, E and F: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	7-11	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
E3 ubiquitin-protein ligase Mdm2	A, B, C	protein	96	Homo sapiens	Q00987 (AlphaFold model)
p53/MDM2 macrocyclic peptide inhibitor	D, E, F	protein	15	synthetic construct

Sequence of entity 1 (A, B, C), FASTA

>7NUS_1 E3 ubiquitin-protein ligase Mdm2 (chains A, B, C)
GSQIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIV
YCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVN

Sequence of entity 2 (D, E, F), FASTA

>7NUS_2 p53/MDM2 macrocyclic peptide inhibitor (chains D, E, F)
FSDXSSVPNFFRNCX

Primary citation

Discovery, X-ray structure and CPP-conjugation enabled uptake of p53/MDM2 macrocyclic peptide inhibitors. Schneider, A.F.L., Kallen, J., Ottl, J. et al. RSC Chem Biol (2021) 2:1661-1668. DOI 10.1039/d1cb00056j · PubMed

Other PDB entries of the same protein (UniProt Q00987 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6Q9L 1.13 Å, HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 9 AT 1.13A; Structural states of Hdm2…
5C5A 1.15 Å, Crystal Structure of HDM2 in complex with Nutlin-3a
6Q9O 1.21 Å, HDM2 (17-111, WILDTYPE) COMPLEXED WITH COMPOUND 10 AT 1.21A; Structural states of Hdm2…
5ZXF 1.25 Å, The 1.25A Crystal structure of His6-tagged Mdm2 in complex with nutlin-3a
7QDQ 1.26 Å, Crystal Structure of HDM2 in complex with Caylin-1
8F10 1.28 Å, Structure of the MDM2 P53 binding domain in complex with H102, an all-D Helicon…
8P0D 1.31 Å, Human 14-3-3 sigma in complex with human MDM2 peptide
5Z02 1.35 Å, Crystal structure of HIS6-tagged Mdm2 with nutlin-3a
8J81 1.35 Å, MDM2 bound with a peptoid
4OGN 1.38 Å, Co-Crystal Structure of MDM2 with Inhbitor Compound 3
2AXI 1.4 Å, HDM2 in complex with a beta-hairpin
7KJM 1.4 Å, Crystal structure of human MDM2 in complex with D-peptide inhibitor (dpmi-omega)

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