4QAE: Engineered lipocalin

Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin. Determined by X-ray diffraction at 2.1 Å resolution. Released 6 May 2015.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 12
Atoms: 9,938
Mol. weight: 146.92 kDa
Released: 6 May 2015

Explore 4QAE in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4QAE contains 55 α-helices and 83 β-strands across 12 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 9 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	9-12	4
α-helix	13-15	3
α-helix	24-27	4
β-strand	29-38	10	7
β-strand	41	1	7
α-helix	48-49	2
β-strand	50	1	8
α-helix	51	1
β-strand	53-58	6	7
β-strand	64-71	8	7
β-strand	76-85	10	7
β-strand	91-94	4	7
β-strand	105-113	9	7
β-strand	118-127	10	7
β-strand	130-139	10	7
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	7
α-helix	169	1
β-strand	170	1	8
α-helix	171	1

Chain B: 9 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	7-12	6
α-helix	13-15	3
α-helix	24-27	4
β-strand	29-38	10	9
β-strand	41	1	9
α-helix	48-49	2
β-strand	50	1	10
α-helix	51	1
β-strand	53-58	6	9
β-strand	64-71	8	9
β-strand	76-85	10	9
β-strand	91-94	4	9
β-strand	105-113	9	9
β-strand	118-127	10	9
β-strand	130-139	10	9
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	9
α-helix	169	1
β-strand	170	1	10
α-helix	171	1

Chain C: 9 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	9-12	4
α-helix	13-15	3
α-helix	24-27	4
β-strand	29-38	10	11
β-strand	41	1	11
α-helix	48-49	2
β-strand	50	1	12
α-helix	51	1
β-strand	53-58	6	11
β-strand	64-71	8	11
β-strand	76-85	10	11
β-strand	91-94	4	11
β-strand	106-113	8	11
β-strand	118-127	10	11
β-strand	130-139	10	11
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	11
α-helix	169	1
β-strand	170	1	12
α-helix	171	1

Chain D: 9 helices, 11 β-strands

Element	Residues	Length	Sheet
α-helix	9-12	4
α-helix	13-15	3
α-helix	24-27	4
β-strand	29-38	10	13
α-helix	48-49	2
β-strand	50	1	14
α-helix	51	1
β-strand	53-58	6	13
β-strand	64-71	8	13
β-strand	76-85	10	13
β-strand	91-94	4	13
β-strand	105-113	9	13
β-strand	118-127	10	13
β-strand	130-139	10	13
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	13
α-helix	169	1
β-strand	170	1	14
α-helix	171	1

Chain E: 9 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	6-12	7
α-helix	13-15	3
α-helix	24-27	4
β-strand	29-38	10	15
β-strand	41	1	15
α-helix	48-49	2
β-strand	50	1	16
α-helix	51	1
β-strand	53-58	6	15
β-strand	64-71	8	15
β-strand	76-85	10	15
β-strand	91-94	4	15
β-strand	105-113	9	15
β-strand	118-127	10	15
β-strand	130-139	10	15
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	15
α-helix	169	1
β-strand	170	1	16
α-helix	171	1

Chain F: 10 helices, 12 β-strands

Element	Residues	Length	Sheet
α-helix	9-12	4
α-helix	13-15	3
α-helix	17-19	3
α-helix	24-27	4
β-strand	29-38	10	17
β-strand	41	1	17
α-helix	48-49	2
β-strand	50	1	18
α-helix	51	1
β-strand	53-58	6	17
β-strand	64-71	8	17
β-strand	76-85	10	17
β-strand	91-94	4	17
β-strand	105-113	9	17
β-strand	118-127	10	17
β-strand	130-139	10	17
α-helix	146-158	13
α-helix	163-165	3
β-strand	166-167	2	17
α-helix	169	1
β-strand	170	1	18
α-helix	171	1

Chains P, Q, R, S and T: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	7-11	5	1
β-strand	19-23	5	1

Chain U: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	7-12	6	6
β-strand	15-23	9	6

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Hepcidin	P, Q, R, S, T, U	protein	25	Homo sapiens	P81172 (AlphaFold model)
Neutrophil gelatinase-associated lipocalin	A, B, C, D, E, F	protein	188	Homo sapiens	P80188 (AlphaFold model)

Sequence of entity 1 (P, Q, R, S, T, U), FASTA

>4QAE_1 Hepcidin (chains P, Q, R, S, T, U)
DTHFPICIFCCGCCHRSKCGMCCKT

Sequence of entity 2 (A, B, C, D, E, F), FASTA

>4QAE_2 Neutrophil gelatinase-associated lipocalin (chains A, B, C, D, E, F)
QDSTSDLIPAPPLSKVPLQQNFQDNQFHGKWYVVGLAGNEVLREDKDPMKMWATIYELEE
DKSYNVTIVMPLAEKCEYLFQTFVPGSQPGEFTLGGIKSGPGRTSGLVRVVSTNYNQHAM
VFFKVVWQNREVFWVTLYGRTKELTSELKENFIRFSKSLGLPENHIVFPVPIDQCIDGSA
WSHPQFEK

Primary citation

Structure of a hepcidin-binding anticalin in complex with its peptide ligand. Giese, T., Skerra, A. To be published.

Other PDB entries of the same protein (UniProt P81172 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3H0T 1.89 Å, Hepcidin-Fab complex
6WBV 2.5 Å, Structure of human ferroportin bound to hepcidin and cobalt in lipid nanodisc
1M4E Solution Structure of Hepcidin-20
1M4F Solution Structure of Hepcidin-25
2KEF Solution NMR structures of human hepcidin at 325K

Browse structure collections

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