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Complex of 6-hydroxy-L-nicotine oxidase with serotonin

Analyse Complex of 6-hydroxy-L-nicotine oxidase with serotonin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3NK1
Type: protein
Length: 425 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 6-hydroxy-L-nicotine oxidase
EC: 1.5.3.5
UniProt: Q93NH4
Ligands: SRO, FAD, GP7
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	6-hydroxy-L-nicotine oxidase (EC 1.5.3.5)	protein	425	33% helix, 22% strand	Q93NH4

Ligands and binding sites

SRO · Serotonin · ligand · chains X
FAD · Flavin-adenine dinucleotide · ligand · chains X
GP7 · (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate · ligand · chains X

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	442	0.85	0.92	67	SRO, FAD
2	457	0.74	0.83	54	GP7
3	104	0.44	0.78	19	empty

Compared structures

3NK1 · Complex of 6-hydroxy-L-nicotine oxidase with serotonin · the same entry in another collection · chain X against X, 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 Q93NH4
Elsewhere: RCSB PDB 3NK1 · PDBe 3NK1 · UniProt Q93NH4

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