MolNFT v1 · #95650 · protein

Crystal structure of iron soaked (45 min) ferritin from pseudo- nitzschia multiseries

4IWJ: “Crystal structure of iron soaked (45 min) ferritin from pseudo- nitzschia multiseries”. X-ray diffraction, 1 ligand (FE), 14 pockets (best druggability 0.74). MolNFT v1 #95650 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4IWJ
Type: protein
Length: 1,269 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ferritin
UniProt: B6DMH6
Ligands: FE
Pockets: 14 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 80% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, B, E, H	Ferritin	protein	159	80% helix, 1% strand	B6DMH6
C	Ferritin	protein	158	81% helix, 1% strand	B6DMH6
F, G	Ferritin	protein	158	80% helix, 1% strand	B6DMH6

Ligands and binding sites

FE · Fe (III) ion · metal · 16 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

14 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	114	0.74	0.95	32	empty
2	204	0.72	0.88	28	empty
3	51	0.71	0.98	10	empty
4	109	0.41	0.77	25	empty
5	103	0.41	0.77	25	empty

Interfaces

15 interfaces between chains.

A–E · 1033 Å² buried · 5 hydrogen bonds · protein-protein
B–F · 1017 Å² buried · 6 hydrogen bonds · protein-protein
C–H · 1015 Å² buried · 6 hydrogen bonds · protein-protein
A–H · 512 Å² buried · 7 hydrogen bonds · protein-protein
D–G · 509 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (alkylation).

Compared structures

4IWJ · Crystal structure of iron soaked (45 min) ferritin from Pseudo-nitzschia multiseries · 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 4IWJ · PDBe 4IWJ · UniProt B6DMH6

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