MolNFT v1 · #171927 · protein

Crystal structure of KRAS-G12D(C118S) in complex with bi-2852 and GDP

6ZL5 · GTPase KRAS: “Crystal structure of KRAS-G12D(C118S) in complex with bi-2852 and GDP”. X-ray diffraction, 4 ligands (GDP, F0K, MG), 1 pocket (best druggability 0.32). MolNFT v1 #171927 on GenesisL1: 3D structure, binding sites and…

PDB: 6ZL5
Type: protein
Length: 164 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase KRAS
UniProt: P01116
Ligands: GDP, F0K, MG, SO4
Pockets: 1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase KRAS	protein	164	38% helix, 25% strand	P01116

Ligands and binding sites

GDP · Guanosine-5'-diphosphate · ligand · chains A
F0K · (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · ligand · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	68	0.32	0.75	21	GDP

Compared structures

6ZL5 · Crystal structure of KRAS-G12D(C118S) in complex with bi-2852 and GDP · 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 P01116
Elsewhere: RCSB PDB 6ZL5 · PDBe 6ZL5 · UniProt P01116

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