MolNFT v1 · #18425 · protein

X-ray crystallographic structure of a papain-leupeptin complex

1POP: “X-ray crystallographic structure of a papain-leupeptin complex”. X-ray diffraction, 1 ligand (ACE). MolNFT v1 #18425 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1POP
Type: protein
Length: 215 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Papain; Leupeptin
EC: 3.4.22.2
UniProt: P00784
Ligands: ACE

Structure

x-ray diffraction · 2 distinct chains · 25% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Papain (EC 3.4.22.2)	protein	212	25% helix, 22% strand	P00784
B	Leupeptin	protein	3	0% helix, 33% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains A, B
MOH · Methanol · additive · 24 copies · chains A, B

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

Interfaces

1 interface between chains.

A–B · 344 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide, 1 covalent, 1 modified (disulfide, covalent ligand, nonstandard).

Compared structures

1POP · X-ray crystallographic structure of a papain-leupeptin complex · the same entry in another collection · chain B against B, TM-score 1.00
P00784 · AlphaFold monomer V2.0 prediction for papain (P00784) · 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 P00784
Elsewhere: RCSB PDB 1POP · PDBe 1POP · UniProt P00784

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