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Agao covalent complex with benzylhydrazine

Analyse Agao covalent complex with benzylhydrazine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1W5Z
Type: protein
Length: 620 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phenylethylamine oxidase
EC: 1.4.3.6
UniProt: P46881
Ligands: CU, NA, SO4
Pockets: 7 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phenylethylamine oxidase (EC 1.4.3.6)	protein	620	13% helix, 43% strand	P46881

Ligands and binding sites

CU · Copper (II) ion · metal · chains A
NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A
GOL · Glycerol · additive · 5 copies · chains A

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

Pockets

7 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	328	0.71	0.84	62	empty
2	50	0.54	0.89	17	empty
3	144	0.42	0.74	26	empty
4	66	0.42	0.81	17	empty
5	69	0.34	0.76	19	empty

Modifications

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

Compared structures

1W5Z · AGAO covalent complex with Benzylhydrazine · 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 P46881
Elsewhere: RCSB PDB 1W5Z · PDBe 1W5Z · UniProt P46881

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