MolNFT v1 · #174715 · protein

NICA2 with cofactor FAD and substrate nicotine

7C49 · Amine oxidase: “NICA2 with cofactor FAD and substrate nicotine”. X-ray diffraction, 2 ligands (FAD, HNL), 7 pockets (best druggability 0.88). MolNFT v1 #174715 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7C49
Type: protein
Length: 858 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Amine oxidase
UniProt: F8G0P2
Ligands: FAD, HNL
Pockets: 7 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Amine oxidase	protein	434	35% helix, 25% strand	F8G0P2
B	Amine oxidase	protein	424	36% helix, 25% strand	F8G0P2

Ligands and binding sites

FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
HNL · 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	926	0.88	0.89	98	FAD, HNL
2	456	0.87	0.94	70	FAD, HNL
3	320	0.69	0.82	25	empty
4	368	0.69	0.81	30	empty
5	237	0.54	0.77	28	empty

Interfaces

1 interface between chains.

A–B · 1649 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

7C49 · nicA2 with cofactor FAD and substrate nicotine · the same entry in another collection · 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 F8G0P2
Elsewhere: RCSB PDB 7C49 · PDBe 7C49 · UniProt F8G0P2

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