6FQF

THE X-RAY STRUCTURE OF FERRIC-BETA4 HUMAN HEMOGLOBIN

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004601	molecular_function	peroxidase activity
A	0005344	molecular_function	oxygen carrier activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005829	cellular_component	cytosol
A	0005833	cellular_component	hemoglobin complex
A	0008217	biological_process	regulation of blood pressure
A	0015670	biological_process	carbon dioxide transport
A	0015671	biological_process	oxygen transport
A	0019825	molecular_function	oxygen binding
A	0020037	molecular_function	heme binding
A	0030185	biological_process	nitric oxide transport
A	0030492	molecular_function	hemoglobin binding
A	0031720	molecular_function	haptoglobin binding
A	0031721	molecular_function	hemoglobin alpha binding
A	0031838	cellular_component	haptoglobin-hemoglobin complex
A	0042542	biological_process	response to hydrogen peroxide
A	0042744	biological_process	hydrogen peroxide catabolic process
A	0043177	molecular_function	organic acid binding
A	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
A	0046872	molecular_function	metal ion binding
A	0070062	cellular_component	extracellular exosome
A	0070293	biological_process	renal absorption
A	0070527	biological_process	platelet aggregation
A	0071682	cellular_component	endocytic vesicle lumen
A	0072562	cellular_component	blood microparticle
A	0097746	biological_process	blood vessel diameter maintenance
A	0098869	biological_process	cellular oxidant detoxification
A	1904724	cellular_component	tertiary granule lumen
A	1904813	cellular_component	ficolin-1-rich granule lumen
B	0004601	molecular_function	peroxidase activity
B	0005344	molecular_function	oxygen carrier activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0005829	cellular_component	cytosol
B	0005833	cellular_component	hemoglobin complex
B	0008217	biological_process	regulation of blood pressure
B	0015670	biological_process	carbon dioxide transport
B	0015671	biological_process	oxygen transport
B	0019825	molecular_function	oxygen binding
B	0020037	molecular_function	heme binding
B	0030185	biological_process	nitric oxide transport
B	0030492	molecular_function	hemoglobin binding
B	0031720	molecular_function	haptoglobin binding
B	0031721	molecular_function	hemoglobin alpha binding
B	0031838	cellular_component	haptoglobin-hemoglobin complex
B	0042542	biological_process	response to hydrogen peroxide
B	0042744	biological_process	hydrogen peroxide catabolic process
B	0043177	molecular_function	organic acid binding
B	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
B	0046872	molecular_function	metal ion binding
B	0070062	cellular_component	extracellular exosome
B	0070293	biological_process	renal absorption
B	0070527	biological_process	platelet aggregation
B	0071682	cellular_component	endocytic vesicle lumen
B	0072562	cellular_component	blood microparticle
B	0097746	biological_process	blood vessel diameter maintenance
B	0098869	biological_process	cellular oxidant detoxification
B	1904724	cellular_component	tertiary granule lumen
B	1904813	cellular_component	ficolin-1-rich granule lumen
C	0004601	molecular_function	peroxidase activity
C	0005344	molecular_function	oxygen carrier activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0005829	cellular_component	cytosol
C	0005833	cellular_component	hemoglobin complex
C	0008217	biological_process	regulation of blood pressure
C	0015670	biological_process	carbon dioxide transport
C	0015671	biological_process	oxygen transport
C	0019825	molecular_function	oxygen binding
C	0020037	molecular_function	heme binding
C	0030185	biological_process	nitric oxide transport
C	0030492	molecular_function	hemoglobin binding
C	0031720	molecular_function	haptoglobin binding
C	0031721	molecular_function	hemoglobin alpha binding
C	0031838	cellular_component	haptoglobin-hemoglobin complex
C	0042542	biological_process	response to hydrogen peroxide
C	0042744	biological_process	hydrogen peroxide catabolic process
C	0043177	molecular_function	organic acid binding
C	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
C	0046872	molecular_function	metal ion binding
C	0070062	cellular_component	extracellular exosome
C	0070293	biological_process	renal absorption
C	0070527	biological_process	platelet aggregation
C	0071682	cellular_component	endocytic vesicle lumen
C	0072562	cellular_component	blood microparticle
C	0097746	biological_process	blood vessel diameter maintenance
C	0098869	biological_process	cellular oxidant detoxification
C	1904724	cellular_component	tertiary granule lumen
C	1904813	cellular_component	ficolin-1-rich granule lumen
D	0004601	molecular_function	peroxidase activity
D	0005344	molecular_function	oxygen carrier activity
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0005829	cellular_component	cytosol
D	0005833	cellular_component	hemoglobin complex
D	0008217	biological_process	regulation of blood pressure
D	0015670	biological_process	carbon dioxide transport
D	0015671	biological_process	oxygen transport
D	0019825	molecular_function	oxygen binding
D	0020037	molecular_function	heme binding
D	0030185	biological_process	nitric oxide transport
D	0030492	molecular_function	hemoglobin binding
D	0031720	molecular_function	haptoglobin binding
D	0031721	molecular_function	hemoglobin alpha binding
D	0031838	cellular_component	haptoglobin-hemoglobin complex
D	0042542	biological_process	response to hydrogen peroxide
D	0042744	biological_process	hydrogen peroxide catabolic process
D	0043177	molecular_function	organic acid binding
D	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
D	0046872	molecular_function	metal ion binding
D	0070062	cellular_component	extracellular exosome
D	0070293	biological_process	renal absorption
D	0070527	biological_process	platelet aggregation
D	0071682	cellular_component	endocytic vesicle lumen
D	0072562	cellular_component	blood microparticle
D	0097746	biological_process	blood vessel diameter maintenance
D	0098869	biological_process	cellular oxidant detoxification
D	1904724	cellular_component	tertiary granule lumen
D	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	binding site for residue HEM A 201

Chain	Residue
A	PHE41
A	HOH306
A	HOH307
A	HOH328
A	PHE42
A	HIS63
A	ALA70
A	HIS92
A	LEU96
A	ASN102
A	LEU141
A	HOH302

---

site_id	AC2
Number of Residues	16
Details	binding site for residue HEM B 201

Chain	Residue
B	PHE41
B	PHE42
B	HIS63
B	LYS66
B	ALA70
B	LEU88
B	HIS92
B	LEU96
B	VAL98
B	ASN102
B	PHE103
B	LEU106
B	LEU141
B	HOH306
B	HOH309
B	HOH322

---

site_id	AC3
Number of Residues	13
Details	binding site for residue HEM C 201

Chain	Residue
C	PHE41
C	PHE42
C	HIS63
C	LYS66
C	ALA70
C	HIS92
C	LEU96
C	VAL98
C	ASN102
C	LEU106
C	LEU141
C	HOH307
C	HOH313

---

site_id	AC4
Number of Residues	10
Details	binding site for residue HEM D 201

Chain	Residue
D	PHE41
D	PHE42
D	HIS63
D	LEU91
D	HIS92
D	LEU96
D	ASN102
D	LEU106
D	LEU141
D	HOH305

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
A	VAL1
C	HIS2
C	LYS82
C	HIS143
D	VAL1
D	HIS2
D	LYS82
D	HIS143
A	HIS2
A	LYS82
A	HIS143
B	VAL1
B	HIS2
B	LYS82
B	HIS143
C	VAL1

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: distal binding residue

Chain	Residue	Details
A	HIS63
B	HIS63
C	HIS63
D	HIS63

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: proximal binding residue

Chain	Residue	Details
A	HIS92
B	HIS92
C	HIS92
D	HIS92

---

site_id	SWS_FT_FI4
Number of Residues	76
Details	SITE: (Microbial infection) Cleavage; by N.americanus apr-2 => ECO:0000269|PubMed:12552433

Chain	Residue	Details
A	GLU7
A	GLY74
A	THR84
A	HIS92
A	ARG104
A	LEU110
A	GLY119
A	PHE122
A	ALA128
A	ALA140
A	LYS144
A	GLY25
B	GLU7
B	GLY25
B	GLY29
B	TYR35
B	TRP37
B	PHE45
B	ASP52
B	GLY56
B	PHE71
B	GLY74
A	GLY29
B	THR84
B	HIS92
B	ARG104
B	LEU110
B	GLY119
B	PHE122
B	ALA128
B	ALA140
B	LYS144
C	GLU7
A	TYR35
C	GLY25
C	GLY29
C	TYR35
C	TRP37
C	PHE45
C	ASP52
C	GLY56
C	PHE71
C	GLY74
C	THR84
A	TRP37
C	HIS92
C	ARG104
C	LEU110
C	GLY119
C	PHE122
C	ALA128
C	ALA140
C	LYS144
D	GLU7
D	GLY25
A	PHE45
D	GLY29
D	TYR35
D	TRP37
D	PHE45
D	ASP52
D	GLY56
D	PHE71
D	GLY74
D	THR84
D	HIS92
A	ASP52
D	ARG104
D	LEU110
D	GLY119
D	PHE122
D	ALA128
D	ALA140
D	LYS144
A	GLY56
A	PHE71

---

site_id	SWS_FT_FI5
Number of Residues	12
Details	SITE: Not glycated => ECO:0000269|PubMed:7358733

Chain	Residue	Details
A	LYS59
D	LYS59
D	LYS82
D	LYS95
A	LYS82
A	LYS95
B	LYS59
B	LYS82
B	LYS95
C	LYS59
C	LYS82
C	LYS95

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: N-pyruvate 2-iminyl-valine; in Hb A1b

Chain	Residue	Details
A	VAL1
B	VAL1
C	VAL1
D	VAL1

---

site_id	SWS_FT_FI7
Number of Residues	8
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	SER9
A	SER44
B	SER9
B	SER44
C	SER9
C	SER44
D	SER9
D	SER44

---

site_id	SWS_FT_FI8
Number of Residues	12
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	THR12
D	THR12
D	THR50
D	THR87
A	THR50
A	THR87
B	THR12
B	THR50
B	THR87
C	THR12
C	THR50
C	THR87

---

site_id	SWS_FT_FI9
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:4531009

Chain	Residue	Details
A	LYS59
A	LYS82
B	LYS59
B	LYS82
C	LYS59
C	LYS82
D	LYS59
D	LYS82

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	MOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:8637569, ECO:0000269|PubMed:9843411

Chain	Residue	Details
A	CYS93
B	CYS93
C	CYS93
D	CYS93

---

site_id	SWS_FT_FI11
Number of Residues	4
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:4531009

Chain	Residue	Details
A	LYS144
B	LYS144
C	LYS144
D	LYS144

---

site_id	SWS_FT_FI12
Number of Residues	4
Details	CARBOHYD: N-linked (Glc) (glycation) valine; in Hb A1c => ECO:0000269|PubMed:635569

Chain	Residue	Details
A	VAL1
B	VAL1
C	VAL1
D	VAL1

---

site_id	SWS_FT_FI13
Number of Residues	16
Details	CARBOHYD: N-linked (Glc) (glycation) lysine => ECO:0000269|PubMed:7358733

Chain	Residue	Details
A	LYS8
C	LYS17
C	LYS66
C	LYS120
D	LYS8
D	LYS17
D	LYS66
D	LYS120
A	LYS17
A	LYS66
A	LYS120
B	LYS8
B	LYS17
B	LYS66
B	LYS120
C	LYS8

---

site_id	SWS_FT_FI14
Number of Residues	4
Details	CARBOHYD: N-linked (Glc) (glycation) lysine; alternate => ECO:0000269|PubMed:7358733

Chain	Residue	Details
A	LYS144
B	LYS144
C	LYS144
D	LYS144

---