MolNFT v1 · #1332 · protein

Bovine adrenodoxin (oxidized)

1AYF: “Bovine adrenodoxin (oxidized)”. X-ray diffraction, 1 ligand (FES), 2 pockets (best druggability 0.41). MolNFT v1 #1332 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1AYF
Type: protein
Length: 207 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adrenodoxin
UniProt: P00257
Ligands: FES
Pockets: 2 · best druggability 0.41

Structure

x-ray diffraction · 2 distinct chains · 23% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adrenodoxin	protein	103	23% helix, 23% strand	P00257
B	Adrenodoxin	protein	104	23% helix, 24% strand	P00257

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	82	0.41	0.79	18	empty
2	93	0.38	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 385 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

1AYF · Bovine adrenodoxin (oxidized) · the same entry in another collection · chain A against A, TM-score 1.00
P00257 · AlphaFold monomer V2.0 prediction for adrenodoxin, mitochondrial (P00257) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P00257
Elsewhere: RCSB PDB 1AYF · PDBe 1AYF · UniProt P00257

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