MolNFT v1 · #65569 · protein

Hepcidin-Fab complex

3H0T · Fab fragment, light chain: “Hepcidin-Fab complex”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT v1 #65569 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3H0T
Type: protein
Length: 461 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fab fragment, light chain; Fab fragment, heavy chain; Hepcidin
UniProt: P81172
Pockets: 5 · best druggability 0.66

Structure

x-ray diffraction · 3 distinct chains · 8% helix, 51% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fab fragment, light chain	protein	216	9% helix, 50% strand	—
B	Fab fragment, heavy chain	protein	223	9% helix, 53% strand	—
C	Hepcidin	protein	22	0% helix, 41% strand	P81172

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	698	0.66	0.75	61	empty
2	147	0.44	0.76	25	empty
3	100	0.41	0.77	18	empty
4	97	0.37	0.75	17	empty
5	58	0.27	0.74	18	empty

Interfaces

3 interfaces between chains.

A–B · 1752 Å² buried · 19 hydrogen bonds · protein-protein
B–C · 460 Å² buried · 1 hydrogen bond · protein-protein
A–C · 321 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

3H0T · Hepcidin-Fab complex · the same entry in another collection · chain A against A, TM-score 1.00
P81172 · AlphaFold monomer V2.0 prediction for hepcidin (P81172) · a predicted model of the same protein · chain C against A, TM-score 0.49

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 P81172
Elsewhere: RCSB PDB 3H0T · PDBe 3H0T · UniProt P81172

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