MolNFT v1 · #90701 · protein

High-resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes

4ER4 · Endothiapepsin: “High-resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes”. X-ray diffraction, 1 pocket (best druggability 0.33). MolNFT v1 #90701 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ER4
Type: protein
Length: 338 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endothiapepsin; H-142
EC: 3.4.23.6
UniProt: P11838
Pockets: 1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Endothiapepsin (EC 3.4.23.6)	protein	330	8% helix, 46% strand	P11838
I	H-142	protein	8	0% helix, 13% strand	—

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.33	0.75	26	empty

Interfaces

1 interface between chains.

E–I · 858 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

4ER4 · High-resolution X-ray analyses of renin inhibitor-aspartic proteinase complexes · the same entry in another collection · chain E against E, TM-score 1.00
P11838 · AlphaFold monomer V2.0 prediction for endothiapepsin (P11838) · a predicted model of the same protein · chain E against A, TM-score 1.00

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 P11838
Elsewhere: RCSB PDB 4ER4 · PDBe 4ER4 · UniProt P11838

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