MolNFT v1 · #95683 · protein

Anaerobic crystal structure of iron soaked (2 H) ferritin from pseudo- nitzschia multiseries

4IXK: “Anaerobic crystal structure of iron soaked (2 H) ferritin from pseudo- nitzschia multiseries”. X-ray diffraction, 1 ligand (FE), 16 pockets (best druggability 0.74). MolNFT v1 #95683 on GenesisL1: 3D structure, binding sites and…

PDB: 4IXK
Type: protein
Length: 1,253 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferritin
UniProt: B6DMH6
Ligands: FE
Pockets: 16 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E, F	Ferritin	protein	156	79% helix, 1% strand	B6DMH6
D, B, H	Ferritin	protein	158	80% helix, 0% strand	B6DMH6
C	Ferritin	protein	156	80% helix, 1% strand	B6DMH6
G	Ferritin	protein	155	79% helix, 0% strand	B6DMH6

Ligands and binding sites

FE · Fe (III) ion · metal · 8 copies · chains A, D, B, C, E, F, G, H

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

Pockets

16 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	57	0.74	0.99	13	empty
2	55	0.73	0.99	11	empty
3	222	0.73	0.88	28	empty
4	222	0.61	0.81	37	empty
5	165	0.54	0.80	17	empty

Interfaces

14 interfaces between chains.

C–H · 1100 Å² buried · 6 hydrogen bonds · protein-protein
A–E · 1044 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 1023 Å² buried · 6 hydrogen bonds · protein-protein
A–H · 495 Å² buried · 7 hydrogen bonds · protein-protein
D–G · 488 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (alkylation).

Compared structures

4IXK · Anaerobic crystal structure of iron soaked (2 h) ferritin from Pseudo-nitzschia… · 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 B6DMH6
Elsewhere: RCSB PDB 4IXK · PDBe 4IXK · UniProt B6DMH6

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