6ZIZ: NRAS Q61R

Crystal structure of NRAS Q61R in complex with GTP and compound 18. Determined by X-ray diffraction at 1.78 Å resolution. Released 19 Aug 2020.

Method: X-ray diffraction
Resolution: 1.78 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,167
Mol. weight: 41.02 kDa
Ligands: EZZ, MG, GTP
Released: 19 Aug 2020

Explore 6ZIZ in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

6ZIZ contains 12 α-helices and 12 β-strands across 2 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.

Chain A: 6 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	2-9	8	1
α-helix	16-25	10
β-strand	37-46	10	1
β-strand	49-58	10	1
α-helix	62-64	3
α-helix	68-74	7
β-strand	77-83	7	1
α-helix	87-104	18
β-strand	111-116	6	1
α-helix	127-137	11
β-strand	141-143	3	1
α-helix	152-169	18

Chain B: 6 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	2-9	8	1
α-helix	16-25	10
β-strand	37-46	10	1
β-strand	49-58	10	1
α-helix	62-64	3
α-helix	68-74	7
β-strand	77-83	7	1
α-helix	87-104	18
β-strand	111-116	6	1
α-helix	127-137	11
β-strand	141-143	3	1
α-helix	152-168	17

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
GTPase NRas	A, B	protein	173	Homo sapiens	P01111 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>6ZIZ_1 GTPase NRas (chains A, B)
GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTA
GREEYSAMRDQYMRTGEGFLCVFAINNSKSFADINLYREQIKRVKDSDDVPMVLVGNKSD
LPTRTVDTKQAHELAKSYGIPFIETSAKTRQGVEDAFYTLVREIRQYRMKKLN

Ligands and cofactors

ID	Name	Formula	Copies
EZZ	(3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydrois…	C19 H19 N3 O2	2
MG	Magnesium ion	Mg	2
GTP	Guanosine-5'-triphosphate	C10 H16 N5 O14 P3	2

Primary citation

Drugging all RAS isoforms with one pocket. Kessler, D., Bergner, A., Bottcher, J. et al. Future Med Chem (2020) 12:1911-1923. DOI 10.4155/fmc-2020-0221 · PubMed

Other PDB entries of the same protein (UniProt P01111 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9BG8 1.2 Å, Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61R, and CypA
24SR 1.23 Å, Human NRAS WT (GDP-bound) in complex with macrocyclic peptide inhibitor AP6296
7F68 1.24 Å, Crystal structure of N-ras S89D
9BG3 1.33 Å, Tri-complex of Daraxonrasib (RMC-6236), NRAS Q61K, and CypA
6ZIO 1.55 Å, Crystal structure of NRAS (C118S) in complex with GDP
9Y3W 1.56 Å, Crystal structure of NRas-G12D in complex with GDP and compound 13
8TBI 1.59 Å, Tricomplex of RMC-7977, NRAS WT, and CypA
9BG0 1.64 Å, Tri-complex of Daraxonrasib (RMC-6236), NRAS WT, and CypA
3CON 1.65 Å, Crystal structure of the human NRAS GTPase bound with GDP
6WGH 1.65 Å, Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication…
5UHV 1.67 Å, wild-type NRas bound to GppNHp
9Y1Y 1.7 Å, Crystal structure of NRas-G12D in complex with GDP and compound 7

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