MolNFT v1 · #145926 · protein

Crystal structure of the N-domain of the er HSP90 chaperone GRP94 in complex with the specific ligand neca

6D28 · Endoplasmin: “Crystal structure of the N-domain of the er HSP90 chaperone GRP94 in complex with the specific ligand neca”. X-ray diffraction, 2 ligands (NEC, M2M), 2 pockets (best druggability 0.62). MolNFT v1 #145926 on GenesisL1…

PDB: 6D28
Type: protein
Length: 225 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoplasmin
UniProt: P41148
Ligands: NEC, M2M
Pockets: 2 · 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

NEC · N-ethyl-5'-carboxamido adenosine · ligand · chains A
M2M · 1-methoxy-2-(2-methoxyethoxy)ethane · ligand · 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	260	0.62	0.80	29	NEC
2	59	0.25	0.72	17	empty

Compared structures

6D28 · Crystal Structure of the N-domain of the ER Hsp90 chaperone GRP94 in complex with the… · 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 0.82

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 6D28 · PDBe 6D28 · UniProt P41148

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