Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4QAE

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

Functional Information from GO Data

Chain	GOid	namespace	contents
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	0006826	biological_process	iron ion transport
A	0006915	biological_process	apoptotic process
A	0015891	biological_process	siderophore transport
A	0031410	cellular_component	cytoplasmic vesicle
A	0035580	cellular_component	specific granule lumen
A	0036094	molecular_function	small molecule binding
A	0042742	biological_process	defense response to bacterium
A	0042802	molecular_function	identical protein binding
A	0045087	biological_process	innate immune response
A	0060205	cellular_component	cytoplasmic vesicle lumen
A	0070062	cellular_component	extracellular exosome
A	0120162	biological_process	positive regulation of cold-induced thermogenesis
A	0140315	molecular_function	iron ion sequestering activity
A	1903981	molecular_function	enterobactin binding
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	0006826	biological_process	iron ion transport
B	0006915	biological_process	apoptotic process
B	0015891	biological_process	siderophore transport
B	0031410	cellular_component	cytoplasmic vesicle
B	0035580	cellular_component	specific granule lumen
B	0036094	molecular_function	small molecule binding
B	0042742	biological_process	defense response to bacterium
B	0042802	molecular_function	identical protein binding
B	0045087	biological_process	innate immune response
B	0060205	cellular_component	cytoplasmic vesicle lumen
B	0070062	cellular_component	extracellular exosome
B	0120162	biological_process	positive regulation of cold-induced thermogenesis
B	0140315	molecular_function	iron ion sequestering activity
B	1903981	molecular_function	enterobactin binding
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	0006826	biological_process	iron ion transport
C	0006915	biological_process	apoptotic process
C	0015891	biological_process	siderophore transport
C	0031410	cellular_component	cytoplasmic vesicle
C	0035580	cellular_component	specific granule lumen
C	0036094	molecular_function	small molecule binding
C	0042742	biological_process	defense response to bacterium
C	0042802	molecular_function	identical protein binding
C	0045087	biological_process	innate immune response
C	0060205	cellular_component	cytoplasmic vesicle lumen
C	0070062	cellular_component	extracellular exosome
C	0120162	biological_process	positive regulation of cold-induced thermogenesis
C	0140315	molecular_function	iron ion sequestering activity
C	1903981	molecular_function	enterobactin binding
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	0006826	biological_process	iron ion transport
D	0006915	biological_process	apoptotic process
D	0015891	biological_process	siderophore transport
D	0031410	cellular_component	cytoplasmic vesicle
D	0035580	cellular_component	specific granule lumen
D	0036094	molecular_function	small molecule binding
D	0042742	biological_process	defense response to bacterium
D	0042802	molecular_function	identical protein binding
D	0045087	biological_process	innate immune response
D	0060205	cellular_component	cytoplasmic vesicle lumen
D	0070062	cellular_component	extracellular exosome
D	0120162	biological_process	positive regulation of cold-induced thermogenesis
D	0140315	molecular_function	iron ion sequestering activity
D	1903981	molecular_function	enterobactin binding
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	0006826	biological_process	iron ion transport
E	0006915	biological_process	apoptotic process
E	0015891	biological_process	siderophore transport
E	0031410	cellular_component	cytoplasmic vesicle
E	0035580	cellular_component	specific granule lumen
E	0036094	molecular_function	small molecule binding
E	0042742	biological_process	defense response to bacterium
E	0042802	molecular_function	identical protein binding
E	0045087	biological_process	innate immune response
E	0060205	cellular_component	cytoplasmic vesicle lumen
E	0070062	cellular_component	extracellular exosome
E	0120162	biological_process	positive regulation of cold-induced thermogenesis
E	0140315	molecular_function	iron ion sequestering activity
E	1903981	molecular_function	enterobactin binding
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	0006826	biological_process	iron ion transport
F	0006915	biological_process	apoptotic process
F	0015891	biological_process	siderophore transport
F	0031410	cellular_component	cytoplasmic vesicle
F	0035580	cellular_component	specific granule lumen
F	0036094	molecular_function	small molecule binding
F	0042742	biological_process	defense response to bacterium
F	0042802	molecular_function	identical protein binding
F	0045087	biological_process	innate immune response
F	0060205	cellular_component	cytoplasmic vesicle lumen
F	0070062	cellular_component	extracellular exosome
F	0120162	biological_process	positive regulation of cold-induced thermogenesis
F	0140315	molecular_function	iron ion sequestering activity
F	1903981	molecular_function	enterobactin binding
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	6
Details	BINDING: BINDING => ECO:0007744\|PDB:1X89, ECO:0007744\|PDB:1X8U

Chain	Residue	Details
D	TRP52
E	TRP52
F	TRP52
A	TRP52
B	TRP52
C	TRP52

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0007744\|PDB:3CMP

Chain	Residue	Details
C	TRP134
D	GLY106
D	TRP134
E	GLY106
E	TRP134
F	GLY106
F	TRP134
A	GLY106
A	TRP134
B	GLY106
B	TRP134
C	GLY106

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:15642259, ECO:0007744\|PDB:1X89, ECO:0007744\|PDB:1X8U

Chain	Residue	Details
D	VAL125
D	TYR138
E	VAL125
E	TYR138
F	VAL125
F	TYR138
C	TYR138
A	VAL125
A	TYR138
B	VAL125
B	TYR138
C	VAL125

site_id	SWS_FT_FI4
Number of Residues	6
Details	MOD_RES: Pyrrolidone carboxylic acid => ECO:0000269\|PubMed:7683678

Chain	Residue	Details
C	GLN1
D	GLN1
E	GLN1
F	GLN1
A	GLN1
B	GLN1

site_id	SWS_FT_FI5
Number of Residues	6
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269\|PubMed:10684642, ECO:0000269\|PubMed:15084671, ECO:0000269\|PubMed:16335952, ECO:0000269\|PubMed:16740002, ECO:0000269\|PubMed:19159218, ECO:0000269\|PubMed:7683678, ECO:0007744\|PDB:1DFV, ECO:0007744\|PDB:1QQS

Chain	Residue	Details
A	ASN65
B	ASN65
C	ASN65
D	ASN65
E	ASN65
F	ASN65

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)