MolNFT v1 · #21500 · protein

Peanut peroxidase

1SCH · Peanut peroxidase, major cationic isozyme: “Peanut peroxidase”. X-ray diffraction, 3 ligands (HEM, NAG, CA), 4 pockets (best druggability 0.80). MolNFT v1 #21500 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1SCH
Type: protein
Length: 588 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Peanut peroxidase, major cationic isozyme
EC: 1.11.1.7
UniProt: P22195
Ligands: HEM, NAG, CA
Pockets: 4 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Peanut peroxidase, major cationic isozyme (EC 1.11.1.7)	protein	294	49% helix, 5% strand	P22195

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains B
CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

4 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	409	0.80	0.88	43	HEM
2	399	0.79	0.88	43	HEM
3	229	0.51	0.76	30	empty
4	58	0.31	0.76	15	empty

Interfaces

1 interface between chains.

A–B · 360 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide, 2 modified, 1 glycan (disulfide, cyclization, N-glycosylation).

Compared structures

1SCH · Peanut peroxidase · the same entry in another collection · chain B against B, TM-score 1.00
P22195 · AlphaFold monomer V2.0 prediction for cationic peroxidase 1 (P22195) · a predicted model of the same protein · chain A 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 P22195
Elsewhere: RCSB PDB 1SCH · PDBe 1SCH · UniProt P22195

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