MolNFT v1 · #162329 · protein

Fragment az-006 binding at the P53PT387/14-3-3 sigma interface

6R5L: “Fragment az-006 binding at the P53PT387/14-3-3 sigma interface”. X-ray diffraction, 3 ligands (JT2, MG, CL). MolNFT v1 #162329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6R5L
Type: protein
Length: 246 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P31947
Ligands: JT2, MG, CL

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	236	—	P31947
P	—	protein	10	—	—

Ligands and binding sites

JT2 · 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide · ligand · chains A
MG · Magnesium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · chains A
GOL · Glycerol · additive · chains A

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

Compared structures

6R5L · Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface · the same entry in another collection · chain A against A, TM-score 1.00
P31947 · AlphaFold monomer V2.0 prediction for 14-3-3 protein sigma (P31947) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P31947
Elsewhere: RCSB PDB 6R5L · PDBe 6R5L · UniProt P31947

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