MolNFT v2 · #168556 · protein

Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods

6V9N: “Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods”. X-ray diffraction at 1.648, 4 ligands (GNP, QTD, MG). MolNFT v2 #168556 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6V9N
Type: protein
Length: 802 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.648
Source: Homo sapiens
UniProt: P01112, Q07889
Ligands: GNP, QTD, MG, NA

Structure

x-ray diffraction · resolution 1.648 · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	166	—	P01112
B	—	protein	469	—	Q07889
C	—	protein	167	—	P01112

Ligands and binding sites

GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
QTD · 4-phenoxybenzene-1-sulfonamide · ligand · chains B
MG · Magnesium ion · metal · chains A
NA · Sodium ion · metal · chains C
FMT · Formic acid · additive · 6 copies · chains A, B, C
GOL · Glycerol · additive · 2 copies · chains B

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

Compared structures

6V9N · Expanding the chemical landscape of SOS1 activators using fragment based methods · the same entry in another collection · chain A against A, TM-score 1.00
Q07889 · AlphaFold monomer V2.0 prediction for son of sevenless homolog 1 (Q07889) · a predicted model of the same protein · chain B against A, TM-score 0.93

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 P01112
Every structure of UniProt Q07889
Elsewhere: RCSB PDB 6V9N · PDBe 6V9N · UniProt P01112 · UniProt Q07889

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