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KRAS G12D in complex with MRTX-1133

Analyse KRAS G12D in complex with MRTX-1133 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7RPZ
Type: protein
Length: 168 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.3
Source: Homo sapiens
Molecule: Isoform 2B of GTPase KRas
EC: 3.6.5.2
Ligands: GDP, 6IC, MG
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · resolution 1.3 · 1 distinct chain · 38% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isoform 2B of GTPase KRas (EC 3.6.5.2)	protein	168	38% helix, 24% strand	—

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · chains A
6IC · 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol · ligand · chains A
MG · Magnesium ion · metal · 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	171	0.70	0.88	24	6IC
2	117	0.45	0.78	26	GDP, MG

Compared structures

7RPZ · KRAS G12D in complex with mrtx-1133 · 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
Elsewhere: RCSB PDB 7RPZ · PDBe 7RPZ

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