MolNFT v1 · #3168 · protein

Adrenodoxin from bovine

1CJE: “Adrenodoxin from bovine”. X-ray diffraction, 1 ligand (FES), 1 pocket (best druggability 0.82). MolNFT v1 #3168 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1CJE
Type: protein
Length: 426 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adrenodoxin
UniProt: P00257
Ligands: FES
Pockets: 1 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	Adrenodoxin	protein	106	23% helix, 23% strand	P00257
B	Adrenodoxin	protein	107	22% helix, 22% strand	P00257
D	Adrenodoxin	protein	107	21% helix, 21% strand	P00257

Ligands and binding sites

FES · Fe2/s2 (inorganic) cluster · ligand · 4 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1132	0.82	0.83	94	empty

Interfaces

5 interfaces between chains.

A–B · 561 Å² buried · 12 hydrogen bonds · protein-protein
C–D · 544 Å² buried · 13 hydrogen bonds · protein-protein
A–D · 220 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 166 Å² buried · 0 hydrogen bonds · protein-protein
B–C · 161 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

1CJE · Adrenodoxin from bovine · the same entry in another collection · chain D against D, TM-score 1.00
P00257 · AlphaFold monomer V2.0 prediction for adrenodoxin, mitochondrial (P00257) · a predicted model of the same protein · chain C 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 1CJE · PDBe 1CJE · UniProt P00257

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