4QAE

Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002020	molecular_function	protease binding
A	0002376	biological_process	immune system process
A	0005506	molecular_function	iron ion binding
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0006811	biological_process	monoatomic ion transport
A	0006826	biological_process	iron ion transport
A	0006915	biological_process	apoptotic process
A	0006953	biological_process	acute-phase response
A	0006979	biological_process	response to oxidative stress
A	0007614	biological_process	short-term memory
A	0007616	biological_process	long-term memory
A	0009410	biological_process	response to xenobiotic stimulus
A	0009615	biological_process	response to virus
A	0009617	biological_process	response to bacterium
A	0009635	biological_process	response to herbicide
A	0009636	biological_process	response to toxic substance
A	0009637	biological_process	response to blue light
A	0009750	biological_process	response to fructose
A	0010040	biological_process	response to iron(II) ion
A	0010046	biological_process	response to mycotoxin
A	0010595	biological_process	positive regulation of endothelial cell migration
A	0010628	biological_process	positive regulation of gene expression
A	0015891	biological_process	siderophore transport
A	0031346	biological_process	positive regulation of cell projection organization
A	0031410	cellular_component	cytoplasmic vesicle
A	0031667	biological_process	response to nutrient levels
A	0031669	biological_process	cellular response to nutrient levels
A	0032496	biological_process	response to lipopolysaccharide
A	0035580	cellular_component	specific granule lumen
A	0036094	molecular_function	small molecule binding
A	0036295	biological_process	cellular response to increased oxygen levels
A	0042742	biological_process	defense response to bacterium
A	0042802	molecular_function	identical protein binding
A	0043065	biological_process	positive regulation of apoptotic process
A	0043525	biological_process	positive regulation of neuron apoptotic process
A	0045087	biological_process	innate immune response
A	0060205	cellular_component	cytoplasmic vesicle lumen
A	0070062	cellular_component	extracellular exosome
A	0070301	biological_process	cellular response to hydrogen peroxide
A	0071222	biological_process	cellular response to lipopolysaccharide
A	0071347	biological_process	cellular response to interleukin-1
A	0071354	biological_process	cellular response to interleukin-6
A	0071356	biological_process	cellular response to tumor necrosis factor
A	0071456	biological_process	cellular response to hypoxia
A	0071481	biological_process	cellular response to X-ray
A	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
A	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
A	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
A	0120162	biological_process	positive regulation of cold-induced thermogenesis
A	0140315	molecular_function	iron ion sequestering activity
A	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
A	1903981	molecular_function	enterobactin binding
A	1904373	biological_process	response to kainic acid
A	1904440	biological_process	positive regulation of iron ion import across plasma membrane
A	1904646	biological_process	cellular response to amyloid-beta
A	1905956	biological_process	positive regulation of endothelial tube morphogenesis
A	1990090	biological_process	cellular response to nerve growth factor stimulus
A	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
B	0002020	molecular_function	protease binding
B	0002376	biological_process	immune system process
B	0005506	molecular_function	iron ion binding
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0006811	biological_process	monoatomic ion transport
B	0006826	biological_process	iron ion transport
B	0006915	biological_process	apoptotic process
B	0006953	biological_process	acute-phase response
B	0006979	biological_process	response to oxidative stress
B	0007614	biological_process	short-term memory
B	0007616	biological_process	long-term memory
B	0009410	biological_process	response to xenobiotic stimulus
B	0009615	biological_process	response to virus
B	0009617	biological_process	response to bacterium
B	0009635	biological_process	response to herbicide
B	0009636	biological_process	response to toxic substance
B	0009637	biological_process	response to blue light
B	0009750	biological_process	response to fructose
B	0010040	biological_process	response to iron(II) ion
B	0010046	biological_process	response to mycotoxin
B	0010595	biological_process	positive regulation of endothelial cell migration
B	0010628	biological_process	positive regulation of gene expression
B	0015891	biological_process	siderophore transport
B	0031346	biological_process	positive regulation of cell projection organization
B	0031410	cellular_component	cytoplasmic vesicle
B	0031667	biological_process	response to nutrient levels
B	0031669	biological_process	cellular response to nutrient levels
B	0032496	biological_process	response to lipopolysaccharide
B	0035580	cellular_component	specific granule lumen
B	0036094	molecular_function	small molecule binding
B	0036295	biological_process	cellular response to increased oxygen levels
B	0042742	biological_process	defense response to bacterium
B	0042802	molecular_function	identical protein binding
B	0043065	biological_process	positive regulation of apoptotic process
B	0043525	biological_process	positive regulation of neuron apoptotic process
B	0045087	biological_process	innate immune response
B	0060205	cellular_component	cytoplasmic vesicle lumen
B	0070062	cellular_component	extracellular exosome
B	0070301	biological_process	cellular response to hydrogen peroxide
B	0071222	biological_process	cellular response to lipopolysaccharide
B	0071347	biological_process	cellular response to interleukin-1
B	0071354	biological_process	cellular response to interleukin-6
B	0071356	biological_process	cellular response to tumor necrosis factor
B	0071456	biological_process	cellular response to hypoxia
B	0071481	biological_process	cellular response to X-ray
B	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
B	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
B	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
B	0120162	biological_process	positive regulation of cold-induced thermogenesis
B	0140315	molecular_function	iron ion sequestering activity
B	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
B	1903981	molecular_function	enterobactin binding
B	1904373	biological_process	response to kainic acid
B	1904440	biological_process	positive regulation of iron ion import across plasma membrane
B	1904646	biological_process	cellular response to amyloid-beta
B	1905956	biological_process	positive regulation of endothelial tube morphogenesis
B	1990090	biological_process	cellular response to nerve growth factor stimulus
B	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
C	0002020	molecular_function	protease binding
C	0002376	biological_process	immune system process
C	0005506	molecular_function	iron ion binding
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0006811	biological_process	monoatomic ion transport
C	0006826	biological_process	iron ion transport
C	0006915	biological_process	apoptotic process
C	0006953	biological_process	acute-phase response
C	0006979	biological_process	response to oxidative stress
C	0007614	biological_process	short-term memory
C	0007616	biological_process	long-term memory
C	0009410	biological_process	response to xenobiotic stimulus
C	0009615	biological_process	response to virus
C	0009617	biological_process	response to bacterium
C	0009635	biological_process	response to herbicide
C	0009636	biological_process	response to toxic substance
C	0009637	biological_process	response to blue light
C	0009750	biological_process	response to fructose
C	0010040	biological_process	response to iron(II) ion
C	0010046	biological_process	response to mycotoxin
C	0010595	biological_process	positive regulation of endothelial cell migration
C	0010628	biological_process	positive regulation of gene expression
C	0015891	biological_process	siderophore transport
C	0031346	biological_process	positive regulation of cell projection organization
C	0031410	cellular_component	cytoplasmic vesicle
C	0031667	biological_process	response to nutrient levels
C	0031669	biological_process	cellular response to nutrient levels
C	0032496	biological_process	response to lipopolysaccharide
C	0035580	cellular_component	specific granule lumen
C	0036094	molecular_function	small molecule binding
C	0036295	biological_process	cellular response to increased oxygen levels
C	0042742	biological_process	defense response to bacterium
C	0042802	molecular_function	identical protein binding
C	0043065	biological_process	positive regulation of apoptotic process
C	0043525	biological_process	positive regulation of neuron apoptotic process
C	0045087	biological_process	innate immune response
C	0060205	cellular_component	cytoplasmic vesicle lumen
C	0070062	cellular_component	extracellular exosome
C	0070301	biological_process	cellular response to hydrogen peroxide
C	0071222	biological_process	cellular response to lipopolysaccharide
C	0071347	biological_process	cellular response to interleukin-1
C	0071354	biological_process	cellular response to interleukin-6
C	0071356	biological_process	cellular response to tumor necrosis factor
C	0071456	biological_process	cellular response to hypoxia
C	0071481	biological_process	cellular response to X-ray
C	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
C	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
C	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
C	0120162	biological_process	positive regulation of cold-induced thermogenesis
C	0140315	molecular_function	iron ion sequestering activity
C	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
C	1903981	molecular_function	enterobactin binding
C	1904373	biological_process	response to kainic acid
C	1904440	biological_process	positive regulation of iron ion import across plasma membrane
C	1904646	biological_process	cellular response to amyloid-beta
C	1905956	biological_process	positive regulation of endothelial tube morphogenesis
C	1990090	biological_process	cellular response to nerve growth factor stimulus
C	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
D	0002020	molecular_function	protease binding
D	0002376	biological_process	immune system process
D	0005506	molecular_function	iron ion binding
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0006811	biological_process	monoatomic ion transport
D	0006826	biological_process	iron ion transport
D	0006915	biological_process	apoptotic process
D	0006953	biological_process	acute-phase response
D	0006979	biological_process	response to oxidative stress
D	0007614	biological_process	short-term memory
D	0007616	biological_process	long-term memory
D	0009410	biological_process	response to xenobiotic stimulus
D	0009615	biological_process	response to virus
D	0009617	biological_process	response to bacterium
D	0009635	biological_process	response to herbicide
D	0009636	biological_process	response to toxic substance
D	0009637	biological_process	response to blue light
D	0009750	biological_process	response to fructose
D	0010040	biological_process	response to iron(II) ion
D	0010046	biological_process	response to mycotoxin
D	0010595	biological_process	positive regulation of endothelial cell migration
D	0010628	biological_process	positive regulation of gene expression
D	0015891	biological_process	siderophore transport
D	0031346	biological_process	positive regulation of cell projection organization
D	0031410	cellular_component	cytoplasmic vesicle
D	0031667	biological_process	response to nutrient levels
D	0031669	biological_process	cellular response to nutrient levels
D	0032496	biological_process	response to lipopolysaccharide
D	0035580	cellular_component	specific granule lumen
D	0036094	molecular_function	small molecule binding
D	0036295	biological_process	cellular response to increased oxygen levels
D	0042742	biological_process	defense response to bacterium
D	0042802	molecular_function	identical protein binding
D	0043065	biological_process	positive regulation of apoptotic process
D	0043525	biological_process	positive regulation of neuron apoptotic process
D	0045087	biological_process	innate immune response
D	0060205	cellular_component	cytoplasmic vesicle lumen
D	0070062	cellular_component	extracellular exosome
D	0070301	biological_process	cellular response to hydrogen peroxide
D	0071222	biological_process	cellular response to lipopolysaccharide
D	0071347	biological_process	cellular response to interleukin-1
D	0071354	biological_process	cellular response to interleukin-6
D	0071356	biological_process	cellular response to tumor necrosis factor
D	0071456	biological_process	cellular response to hypoxia
D	0071481	biological_process	cellular response to X-ray
D	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
D	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
D	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
D	0120162	biological_process	positive regulation of cold-induced thermogenesis
D	0140315	molecular_function	iron ion sequestering activity
D	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
D	1903981	molecular_function	enterobactin binding
D	1904373	biological_process	response to kainic acid
D	1904440	biological_process	positive regulation of iron ion import across plasma membrane
D	1904646	biological_process	cellular response to amyloid-beta
D	1905956	biological_process	positive regulation of endothelial tube morphogenesis
D	1990090	biological_process	cellular response to nerve growth factor stimulus
D	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
E	0002020	molecular_function	protease binding
E	0002376	biological_process	immune system process
E	0005506	molecular_function	iron ion binding
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005615	cellular_component	extracellular space
E	0006811	biological_process	monoatomic ion transport
E	0006826	biological_process	iron ion transport
E	0006915	biological_process	apoptotic process
E	0006953	biological_process	acute-phase response
E	0006979	biological_process	response to oxidative stress
E	0007614	biological_process	short-term memory
E	0007616	biological_process	long-term memory
E	0009410	biological_process	response to xenobiotic stimulus
E	0009615	biological_process	response to virus
E	0009617	biological_process	response to bacterium
E	0009635	biological_process	response to herbicide
E	0009636	biological_process	response to toxic substance
E	0009637	biological_process	response to blue light
E	0009750	biological_process	response to fructose
E	0010040	biological_process	response to iron(II) ion
E	0010046	biological_process	response to mycotoxin
E	0010595	biological_process	positive regulation of endothelial cell migration
E	0010628	biological_process	positive regulation of gene expression
E	0015891	biological_process	siderophore transport
E	0031346	biological_process	positive regulation of cell projection organization
E	0031410	cellular_component	cytoplasmic vesicle
E	0031667	biological_process	response to nutrient levels
E	0031669	biological_process	cellular response to nutrient levels
E	0032496	biological_process	response to lipopolysaccharide
E	0035580	cellular_component	specific granule lumen
E	0036094	molecular_function	small molecule binding
E	0036295	biological_process	cellular response to increased oxygen levels
E	0042742	biological_process	defense response to bacterium
E	0042802	molecular_function	identical protein binding
E	0043065	biological_process	positive regulation of apoptotic process
E	0043525	biological_process	positive regulation of neuron apoptotic process
E	0045087	biological_process	innate immune response
E	0060205	cellular_component	cytoplasmic vesicle lumen
E	0070062	cellular_component	extracellular exosome
E	0070301	biological_process	cellular response to hydrogen peroxide
E	0071222	biological_process	cellular response to lipopolysaccharide
E	0071347	biological_process	cellular response to interleukin-1
E	0071354	biological_process	cellular response to interleukin-6
E	0071356	biological_process	cellular response to tumor necrosis factor
E	0071456	biological_process	cellular response to hypoxia
E	0071481	biological_process	cellular response to X-ray
E	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
E	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
E	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
E	0120162	biological_process	positive regulation of cold-induced thermogenesis
E	0140315	molecular_function	iron ion sequestering activity
E	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
E	1903981	molecular_function	enterobactin binding
E	1904373	biological_process	response to kainic acid
E	1904440	biological_process	positive regulation of iron ion import across plasma membrane
E	1904646	biological_process	cellular response to amyloid-beta
E	1905956	biological_process	positive regulation of endothelial tube morphogenesis
E	1990090	biological_process	cellular response to nerve growth factor stimulus
E	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
F	0002020	molecular_function	protease binding
F	0002376	biological_process	immune system process
F	0005506	molecular_function	iron ion binding
F	0005515	molecular_function	protein binding
F	0005576	cellular_component	extracellular region
F	0005615	cellular_component	extracellular space
F	0006811	biological_process	monoatomic ion transport
F	0006826	biological_process	iron ion transport
F	0006915	biological_process	apoptotic process
F	0006953	biological_process	acute-phase response
F	0006979	biological_process	response to oxidative stress
F	0007614	biological_process	short-term memory
F	0007616	biological_process	long-term memory
F	0009410	biological_process	response to xenobiotic stimulus
F	0009615	biological_process	response to virus
F	0009617	biological_process	response to bacterium
F	0009635	biological_process	response to herbicide
F	0009636	biological_process	response to toxic substance
F	0009637	biological_process	response to blue light
F	0009750	biological_process	response to fructose
F	0010040	biological_process	response to iron(II) ion
F	0010046	biological_process	response to mycotoxin
F	0010595	biological_process	positive regulation of endothelial cell migration
F	0010628	biological_process	positive regulation of gene expression
F	0015891	biological_process	siderophore transport
F	0031346	biological_process	positive regulation of cell projection organization
F	0031410	cellular_component	cytoplasmic vesicle
F	0031667	biological_process	response to nutrient levels
F	0031669	biological_process	cellular response to nutrient levels
F	0032496	biological_process	response to lipopolysaccharide
F	0035580	cellular_component	specific granule lumen
F	0036094	molecular_function	small molecule binding
F	0036295	biological_process	cellular response to increased oxygen levels
F	0042742	biological_process	defense response to bacterium
F	0042802	molecular_function	identical protein binding
F	0043065	biological_process	positive regulation of apoptotic process
F	0043525	biological_process	positive regulation of neuron apoptotic process
F	0045087	biological_process	innate immune response
F	0060205	cellular_component	cytoplasmic vesicle lumen
F	0070062	cellular_component	extracellular exosome
F	0070301	biological_process	cellular response to hydrogen peroxide
F	0071222	biological_process	cellular response to lipopolysaccharide
F	0071347	biological_process	cellular response to interleukin-1
F	0071354	biological_process	cellular response to interleukin-6
F	0071356	biological_process	cellular response to tumor necrosis factor
F	0071456	biological_process	cellular response to hypoxia
F	0071481	biological_process	cellular response to X-ray
F	0097192	biological_process	extrinsic apoptotic signaling pathway in absence of ligand
F	0110090	biological_process	positive regulation of hippocampal neuron apoptotic process
F	0110091	biological_process	negative regulation of hippocampal neuron apoptotic process
F	0120162	biological_process	positive regulation of cold-induced thermogenesis
F	0140315	molecular_function	iron ion sequestering activity
F	1903428	biological_process	positive regulation of reactive oxygen species biosynthetic process
F	1903981	molecular_function	enterobactin binding
F	1904373	biological_process	response to kainic acid
F	1904440	biological_process	positive regulation of iron ion import across plasma membrane
F	1904646	biological_process	cellular response to amyloid-beta
F	1905956	biological_process	positive regulation of endothelial tube morphogenesis
F	1990090	biological_process	cellular response to nerve growth factor stimulus
F	2000379	biological_process	positive regulation of reactive oxygen species metabolic process
P	0005576	cellular_component	extracellular region
P	0006879	biological_process	intracellular iron ion homeostasis
Q	0005576	cellular_component	extracellular region
Q	0006879	biological_process	intracellular iron ion homeostasis
R	0005576	cellular_component	extracellular region
R	0006879	biological_process	intracellular iron ion homeostasis
S	0005576	cellular_component	extracellular region
S	0006879	biological_process	intracellular iron ion homeostasis
T	0005576	cellular_component	extracellular region
T	0006879	biological_process	intracellular iron ion homeostasis
U	0005576	cellular_component	extracellular region
U	0006879	biological_process	intracellular iron ion homeostasis

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MPD A 201

Chain	Residue
A	LEU72
A	ALA73
A	GLN174
D	ASP45
D	LYS46
R	HIS15

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD B 202

Chain	Residue
B	GLN174
E	ASP45
E	LYS46
P	HIS15
B	LEU72
B	ALA73
B	LYS75

---

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE MPD D 202

Chain	Residue
A	ASP45
A	LYS46
D	PRO71
D	LEU72
D	ALA73
D	GLN174
D	HOH316
T	HIS15

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD E 201

Chain	Residue
B	ASP45
B	LYS46
E	LEU72
E	ALA73
E	GLN174
E	HOH407
U	HIS15

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MPD E 202

Chain	Residue
A	ASP47
E	LYS46
E	ASP47
E	HOH391

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MPD F 201

Chain	Residue
C	LEU72
C	ALA73
C	GLN174
F	ASP45
F	LYS46
F	HOH343
Q	HIS15

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MPD F 202

Chain	Residue
F	LYS46
F	ASP47

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MPD F 203

Chain	Residue
C	ASP45
C	LYS46
F	PRO71
F	LEU72
F	ALA73
F	ILE172
F	GLN174
F	CYS175
S	HIS15

---

Functional Information from PROSITE/UniProt

site_id	PS00213
Number of Residues	14
Details	LIPOCALIN Lipocalin signature. NFQdnQFHGKWYVV

Chain	Residue	Details
A	ASN21-VAL34

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	48
Details	Peptide: {"description":"Hepcidin-25","featureId":"PRO_0000013379"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	114
Details	Peptide: {"description":"Hepcidin-20","featureId":"PRO_0000013380"}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PDB","id":"1X89","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1X8U","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PDB","id":"3CMP","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15642259","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1X89","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1X8U","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"10684642","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15084671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16335952","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16740002","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19159218","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7683678","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DFV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QQS","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---