MolNFT v1 · #150875 · protein

Unitary crystal structure of the positively supercharged variant FTN(POS) from human heavy chain ferritin (peg 400 condition)

6H6U · Ferritin heavy chain: “Unitary crystal structure of the positively supercharged variant FTN(POS) from human heavy chain ferritin…”. X-ray diffraction, 2 ligands (FE, CA), 10 pockets (best druggability 0.74). MolNFT v1 #150875 on…

PDB: 6H6U
Type: protein
Length: 1,033 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferritin heavy chain
EC: 1.16.3.1
UniProt: P02794
Ligands: FE, CA
Pockets: 10 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, E, F	Ferritin heavy chain (EC 1.16.3.1)	protein	172	73% helix, 1% strand	P02794
D	Ferritin heavy chain (EC 1.16.3.1)	protein	173	72% helix, 1% strand	P02794

Ligands and binding sites

FE · Fe (III) ion · metal · 15 copies · chains A, B, C, D, E, F
CA · Calcium ion · metal · 4 copies · chains A, B, C, D, E, F
GOL · Glycerol · additive · chains A, D

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	68	0.74	0.98	11	empty
2	344	0.67	0.81	40	empty
3	326	0.65	0.81	39	empty
4	212	0.52	0.77	26	empty
5	124	0.45	0.77	20	empty

Interfaces

9 interfaces between chains.

A–D · 1545 Å² buried · 31 hydrogen bonds · protein-protein
D–F · 730 Å² buried · 8 hydrogen bonds · protein-protein
A–C · 729 Å² buried · 9 hydrogen bonds · protein-protein
B–C · 728 Å² buried · 10 hydrogen bonds · protein-protein
E–F · 728 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

6H6U · Unitary crystal structure of the positively supercharged variant Ftn(pos) from human… · the same entry in another collection · chain F against F, TM-score 1.00
P02794 · AlphaFold monomer V2.0 prediction for ferritin heavy chain (P02794) · a predicted model of the same protein · 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 P02794
Elsewhere: RCSB PDB 6H6U · PDBe 6H6U · UniProt P02794

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