MolNFT v1 · #57680 · protein

Crystal structure of PD(ALLY)/APO-C126AFR

3AF8 · Ferritin light chain: “Crystal structure of PD(ALLY)/APO-C126AFR”. X-ray diffraction, 3 ligands (PLL, CD, SO4), 2 pockets (best druggability 0.45). MolNFT v1 #57680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3AF8
Type: protein
Length: 172 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferritin light chain
UniProt: P02791
Ligands: PLL, CD, SO4
Pockets: 2 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Ferritin light chain	protein	172	74% helix, 0% strand	P02791

Ligands and binding sites

PLL · Palladium(II) allyl complex · ligand · 2 copies · chains X
CD · Cadmium ion · metal · 3 copies · chains X
SO4 · Sulfate ion · ion · chains X
EDO · 1,2-ethanediol · additive · 7 copies · chains X

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	105	0.45	0.78	20	EDO
2	66	0.32	0.75	16	empty

Compared structures

3AF8 · Crystal Structure of Pd(ally)/apo-C126AFr · the same entry in another collection · chain X against X, TM-score 1.00
P02791 · AlphaFold monomer V2.0 prediction for ferritin light chain (P02791) · a predicted model of the same protein · chain X against A, TM-score 0.99

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 P02791
Elsewhere: RCSB PDB 3AF8 · PDBe 3AF8 · UniProt P02791

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