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Structure of human NNMT in complex with macrocyclic peptide 8

Analyse Structure of human NNMT in complex with macrocyclic peptide 8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7EI2
Type: protein
Length: 242 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.08
Source: Homo sapiens; SYNTHETIC CONSTRUCT
Molecule: Nicotinamide N-methyltransferase; macrocyclic peptide 8
EC: 2.1.1.1
UniProt: P40261
Pockets: 1 · best druggability 0.30

Structure

x-ray diffraction · resolution 2.08 · 2 distinct chains · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nicotinamide N-methyltransferase (EC 2.1.1.1)	protein	233	39% helix, 24% strand	P40261
B	macrocyclic peptide 8	protein	9	0% helix, 0% 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	57	0.30	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 772 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 modified (nonstandard).

Compared structures

7EI2 · Structure of human nnmt in complex with macrocyclic peptide 8 · the same entry in another collection · chain A against A, TM-score 1.00
P40261 · AlphaFold monomer V2.0 prediction for nicotinamide N-methyltransferase (P40261) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P40261
Elsewhere: RCSB PDB 7EI2 · PDBe 7EI2 · UniProt P40261

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