MolNFT v1 · #184284 · protein

X-ray structure of soluble epcr in C2221 space group

7OKT · Endothelial protein C receptor: “X-ray structure of soluble epcr in C2221 space group”. X-ray diffraction, 3 ligands (PTY, NAG, FUC), 3 pockets (best druggability 0.86). MolNFT v1 #184284 on GenesisL1: 3D structure, binding sites…

PDB: 7OKT
Type: protein
Length: 324 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endothelial protein C receptor
UniProt: Q9UNN8
Ligands: PTY, NAG, FUC
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 39% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endothelial protein C receptor	protein	165	36% helix, 39% strand	Q9UNN8
B	Endothelial protein C receptor	protein	159	34% helix, 40% strand	Q9UNN8

Ligands and binding sites

PTY · Phosphatidylethanolamine · ligand · 2 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains B, A
FUC · alpha-L-fucopyranose · sugar · chains B
EDO · 1,2-ethanediol · additive · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	517	0.86	0.92	58	PTY
2	593	0.86	0.91	66	PTY
3	291	0.57	0.77	25	empty

Interfaces

1 interface between chains.

A–B · 699 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 glycan, 2 disulfide (N-glycosylation, disulfide).

Compared structures

7OKT · X-ray structure of soluble EPCR in C2221 space group · the same entry in another collection · chain A against A, TM-score 1.00
Q9UNN8 · AlphaFold monomer V2.0 prediction for endothelial protein C receptor (Q9UNN8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 Q9UNN8
Elsewhere: RCSB PDB 7OKT · PDBe 7OKT · UniProt Q9UNN8

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