MolNFT v1 · #145915 · protein

N-domain of GRP94, with the charged domain, in complex with the novel ligand N-propyl carboxyamido adenosine

6D1X · Endoplasmin: “N-domain of GRP94, with the charged domain, in complex with the novel ligand N-propyl carboxyamido adenosine”. X-ray diffraction, 1 ligand (PA7), 1 pocket (best druggability 0.62). MolNFT v1 #145915 on GenesisL1: 3D…

PDB: 6D1X
Type: protein
Length: 225 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoplasmin
UniProt: P41148
Ligands: PA7
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endoplasmin	protein	225	40% helix, 24% strand	P41148

Ligands and binding sites

PA7 · N-propyl carboxyamido adenosine · ligand · chains A
PG4 · Tetraethylene glycol · additive · 3 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	277	0.62	0.80	29	PA7

Compared structures

6D1X · N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl… · the same entry in another collection · chain A against A, TM-score 1.00
P41148 · AlphaFold monomer V2.0 prediction for endoplasmin (P41148) · a predicted model of the same protein · chain A against A, TM-score 0.83

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 P41148
Elsewhere: RCSB PDB 6D1X · PDBe 6D1X · UniProt P41148

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