1LFL

DEOXY HEMOGLOBIN (90% RELATIVE HUMIDITY)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004601	molecular_function	peroxidase activity
A	0005344	molecular_function	oxygen carrier activity
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	0005829	cellular_component	cytosol
A	0005833	cellular_component	hemoglobin complex
A	0015670	biological_process	carbon dioxide transport
A	0015671	biological_process	oxygen transport
A	0016020	cellular_component	membrane
A	0019825	molecular_function	oxygen binding
A	0020037	molecular_function	heme binding
A	0030185	biological_process	nitric oxide transport
A	0031720	molecular_function	haptoglobin 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	0046872	molecular_function	metal ion binding
A	0070062	cellular_component	extracellular exosome
A	0071682	cellular_component	endocytic vesicle lumen
A	0072562	cellular_component	blood microparticle
A	0098869	biological_process	cellular oxidant detoxification
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	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	0005829	cellular_component	cytosol
C	0005833	cellular_component	hemoglobin complex
C	0015670	biological_process	carbon dioxide transport
C	0015671	biological_process	oxygen transport
C	0016020	cellular_component	membrane
C	0019825	molecular_function	oxygen binding
C	0020037	molecular_function	heme binding
C	0030185	biological_process	nitric oxide transport
C	0031720	molecular_function	haptoglobin 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	0046872	molecular_function	metal ion binding
C	0070062	cellular_component	extracellular exosome
C	0071682	cellular_component	endocytic vesicle lumen
C	0072562	cellular_component	blood microparticle
C	0098869	biological_process	cellular oxidant detoxification
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
P	0004601	molecular_function	peroxidase activity
P	0005344	molecular_function	oxygen carrier activity
P	0005506	molecular_function	iron ion binding
P	0005515	molecular_function	protein binding
P	0005576	cellular_component	extracellular region
P	0005615	cellular_component	extracellular space
P	0005829	cellular_component	cytosol
P	0005833	cellular_component	hemoglobin complex
P	0015670	biological_process	carbon dioxide transport
P	0015671	biological_process	oxygen transport
P	0016020	cellular_component	membrane
P	0019825	molecular_function	oxygen binding
P	0020037	molecular_function	heme binding
P	0030185	biological_process	nitric oxide transport
P	0031720	molecular_function	haptoglobin binding
P	0031838	cellular_component	haptoglobin-hemoglobin complex
P	0042542	biological_process	response to hydrogen peroxide
P	0042744	biological_process	hydrogen peroxide catabolic process
P	0043177	molecular_function	organic acid binding
P	0046872	molecular_function	metal ion binding
P	0070062	cellular_component	extracellular exosome
P	0071682	cellular_component	endocytic vesicle lumen
P	0072562	cellular_component	blood microparticle
P	0098869	biological_process	cellular oxidant detoxification
Q	0004601	molecular_function	peroxidase activity
Q	0005344	molecular_function	oxygen carrier activity
Q	0005515	molecular_function	protein binding
Q	0005576	cellular_component	extracellular region
Q	0005615	cellular_component	extracellular space
Q	0005829	cellular_component	cytosol
Q	0005833	cellular_component	hemoglobin complex
Q	0008217	biological_process	regulation of blood pressure
Q	0015670	biological_process	carbon dioxide transport
Q	0015671	biological_process	oxygen transport
Q	0019825	molecular_function	oxygen binding
Q	0020037	molecular_function	heme binding
Q	0030185	biological_process	nitric oxide transport
Q	0030492	molecular_function	hemoglobin binding
Q	0031720	molecular_function	haptoglobin binding
Q	0031721	molecular_function	hemoglobin alpha binding
Q	0031838	cellular_component	haptoglobin-hemoglobin complex
Q	0042542	biological_process	response to hydrogen peroxide
Q	0042744	biological_process	hydrogen peroxide catabolic process
Q	0043177	molecular_function	organic acid binding
Q	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
Q	0046872	molecular_function	metal ion binding
Q	0070062	cellular_component	extracellular exosome
Q	0070293	biological_process	renal absorption
Q	0070527	biological_process	platelet aggregation
Q	0071682	cellular_component	endocytic vesicle lumen
Q	0072562	cellular_component	blood microparticle
Q	0097746	biological_process	blood vessel diameter maintenance
Q	0098869	biological_process	cellular oxidant detoxification
Q	1904724	cellular_component	tertiary granule lumen
Q	1904813	cellular_component	ficolin-1-rich granule lumen
R	0004601	molecular_function	peroxidase activity
R	0005344	molecular_function	oxygen carrier activity
R	0005506	molecular_function	iron ion binding
R	0005515	molecular_function	protein binding
R	0005576	cellular_component	extracellular region
R	0005615	cellular_component	extracellular space
R	0005829	cellular_component	cytosol
R	0005833	cellular_component	hemoglobin complex
R	0015670	biological_process	carbon dioxide transport
R	0015671	biological_process	oxygen transport
R	0016020	cellular_component	membrane
R	0019825	molecular_function	oxygen binding
R	0020037	molecular_function	heme binding
R	0030185	biological_process	nitric oxide transport
R	0031720	molecular_function	haptoglobin binding
R	0031838	cellular_component	haptoglobin-hemoglobin complex
R	0042542	biological_process	response to hydrogen peroxide
R	0042744	biological_process	hydrogen peroxide catabolic process
R	0043177	molecular_function	organic acid binding
R	0046872	molecular_function	metal ion binding
R	0070062	cellular_component	extracellular exosome
R	0071682	cellular_component	endocytic vesicle lumen
R	0072562	cellular_component	blood microparticle
R	0098869	biological_process	cellular oxidant detoxification
S	0004601	molecular_function	peroxidase activity
S	0005344	molecular_function	oxygen carrier activity
S	0005515	molecular_function	protein binding
S	0005576	cellular_component	extracellular region
S	0005615	cellular_component	extracellular space
S	0005829	cellular_component	cytosol
S	0005833	cellular_component	hemoglobin complex
S	0008217	biological_process	regulation of blood pressure
S	0015670	biological_process	carbon dioxide transport
S	0015671	biological_process	oxygen transport
S	0019825	molecular_function	oxygen binding
S	0020037	molecular_function	heme binding
S	0030185	biological_process	nitric oxide transport
S	0030492	molecular_function	hemoglobin binding
S	0031720	molecular_function	haptoglobin binding
S	0031721	molecular_function	hemoglobin alpha binding
S	0031838	cellular_component	haptoglobin-hemoglobin complex
S	0042542	biological_process	response to hydrogen peroxide
S	0042744	biological_process	hydrogen peroxide catabolic process
S	0043177	molecular_function	organic acid binding
S	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
S	0046872	molecular_function	metal ion binding
S	0070062	cellular_component	extracellular exosome
S	0070293	biological_process	renal absorption
S	0070527	biological_process	platelet aggregation
S	0071682	cellular_component	endocytic vesicle lumen
S	0072562	cellular_component	blood microparticle
S	0097746	biological_process	blood vessel diameter maintenance
S	0098869	biological_process	cellular oxidant detoxification
S	1904724	cellular_component	tertiary granule lumen
S	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM A 142

Chain	Residue
A	MET32
A	LEU91
A	VAL93
A	ASN97
A	PHE98
A	VAL132
A	LEU136
A	HOH167
A	TYR42
A	PHE43
A	HIS45
A	PHE46
A	HIS58
A	LYS61
A	LEU83
A	HIS87

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HEM B 147

Chain	Residue
B	PHE41
B	PHE42
B	HIS63
B	HIS92
B	LEU96
B	VAL98
B	PHE103
B	LEU106
B	LEU141

---

site_id	AC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM C 142

Chain	Residue
C	TYR42
C	PHE43
C	HIS45
C	PHE46
C	HIS58
C	LYS61
C	LEU83
C	HIS87
C	LEU91
C	VAL93
C	ASN97
C	PHE98
C	LEU101
C	VAL132

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE HEM D 147

Chain	Residue
D	PHE41
D	PHE42
D	HIS63
D	VAL67
D	LEU91
D	HIS92
D	ASN102
D	PHE103
D	LEU106
D	LEU141
P	ALA53

---

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM P 142

Chain	Residue
P	TYR42
P	PHE43
P	HIS45
P	PHE46
P	HIS58
P	LYS61
P	VAL62
P	ALA65
P	LEU83
P	HIS87
P	LEU91
P	VAL93
P	ASN97
P	PHE98
P	LEU101
P	VAL132
P	LEU136
P	HOH157

---

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM Q 147

Chain	Residue
C	ALA53
C	HOH149
Q	PHE41
Q	PHE42
Q	HIS63
Q	VAL67
Q	ALA70
Q	PHE71
Q	LEU88
Q	HIS92
Q	LEU96
Q	ASN102
Q	LEU106
Q	LEU141

---

site_id	AC7
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM R 142

Chain	Residue
R	THR39
R	TYR42
R	PHE43
R	HIS45
R	PHE46
R	HIS58
R	LYS61
R	LEU86
R	HIS87
R	LEU91
R	VAL93
R	ASN97
R	PHE98
R	LEU101
R	HOH152

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HEM S 147

Chain	Residue
S	HIS63
S	VAL67
S	HIS92
S	ASN102
S	PHE103
S	LEU106
S	LEU141
S	PHE41
S	PHE42

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
B	HIS2
Q	LEU3
Q	GLY83
Q	LYS144
S	HIS2
S	LEU3
S	GLY83
S	LYS144
B	LEU3
B	GLY83
B	LYS144
D	HIS2
D	LEU3
D	GLY83
D	LYS144
Q	HIS2

---

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

Chain	Residue	Details
B	GLY64
D	GLY64
Q	GLY64
S	GLY64

---

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

Chain	Residue	Details
B	CYS93
A	ARG92
A	VAL107
A	LEU109
A	HIS122
A	THR134
C	ASN9
C	TRP14
C	GLY25
C	GLU30
C	PHE46
D	CYS93
C	LEU48
C	ALA53
C	LYS56
C	LYS60
C	ARG92
C	VAL107
C	LEU109
C	HIS122
C	THR134
P	ASN9
Q	CYS93
P	TRP14
P	GLY25
P	GLU30
P	PHE46
P	LEU48
P	ALA53
P	LYS56
P	LYS60
P	ARG92
P	VAL107
S	CYS93
P	LEU109
P	HIS122
P	THR134
R	ASN9
R	TRP14
R	GLY25
R	GLU30
R	PHE46
R	LEU48
R	ALA53
A	PHE46
R	LYS56
R	LYS60
R	ARG92
R	VAL107
R	LEU109
R	HIS122
R	THR134
A	LEU48
A	ALA53
A	LYS56
A	LYS60

---

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
B	LYS8
B	LEU75
B	PHE85
B	CYS93
B	LEU105
B	VAL111
B	LYS120
B	THR123
B	ALA129
B	LEU141
B	TYR145
B	GLU26
D	LYS8
D	GLU26
D	ARG30
D	PRO36
D	THR38
D	GLY46
D	ALA53
D	ASN57
D	SER72
D	LEU75
B	ARG30
D	PHE85
D	CYS93
D	LEU105
D	VAL111
D	LYS120
D	THR123
D	ALA129
D	LEU141
D	TYR145
Q	LYS8
B	PRO36
Q	GLU26
Q	ARG30
Q	PRO36
Q	THR38
Q	GLY46
Q	ALA53
Q	ASN57
Q	SER72
Q	LEU75
Q	PHE85
B	THR38
Q	CYS93
Q	LEU105
Q	VAL111
Q	LYS120
Q	THR123
Q	ALA129
Q	LEU141
Q	TYR145
S	LYS8
S	GLU26
B	GLY46
S	ARG30
S	PRO36
S	THR38
S	GLY46
S	ALA53
S	ASN57
S	SER72
S	LEU75
S	PHE85
S	CYS93
B	ALA53
S	LEU105
S	VAL111
S	LYS120
S	THR123
S	ALA129
S	LEU141
S	TYR145
B	ASN57
B	SER72

---

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

Chain	Residue	Details
B	VAL60
S	VAL60
S	GLY83
S	LEU96
B	GLY83
B	LEU96
D	VAL60
D	GLY83
D	LEU96
Q	VAL60
Q	GLY83
Q	LEU96

---

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

Chain	Residue	Details
B	HIS2
R	THR8
R	VAL17
R	THR41
D	HIS2
Q	HIS2
S	HIS2
C	VAL17
C	THR41
P	THR8
P	VAL17
P	THR41

---

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

Chain	Residue	Details
B	ALA10
B	PHE45
D	ALA10
D	PHE45
Q	ALA10
Q	PHE45
S	ALA10
S	PHE45

---

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

Chain	Residue	Details
B	ALA13
S	ALA13
S	PRO51
S	LEU88
B	PRO51
B	LEU88
D	ALA13
D	PRO51
D	LEU88
Q	ALA13
Q	PRO51
Q	LEU88

---

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

Chain	Residue	Details
B	VAL60
B	GLY83
D	VAL60
D	GLY83
Q	VAL60
Q	GLY83
S	VAL60
S	GLY83

---

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
B	ASP94
P	LEU125
P	VAL132
P	LYS139
R	HIS103
R	LEU125
R	VAL132
R	LYS139
D	ASP94
Q	ASP94
S	ASP94
C	HIS103
C	LEU125
C	VAL132
C	LYS139
P	HIS103

---

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

Chain	Residue	Details
B	TYR145
R	LEU109
R	VAL135
R	SER138
D	TYR145
Q	TYR145
S	TYR145
C	VAL135
C	SER138
P	LEU109
P	VAL135
P	SER138

---

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
B	HIS2
R	THR8
R	VAL17
R	THR41
D	HIS2
Q	HIS2
S	HIS2
C	VAL17
C	THR41
P	THR8
P	VAL17
P	THR41

---

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

Chain	Residue	Details
B	SER9
Q	VAL18
Q	VAL67
Q	GLU121
S	SER9
S	VAL18
S	VAL67
S	GLU121
B	VAL18
B	VAL67
B	GLU121
D	SER9
D	VAL18
D	VAL67
D	GLU121
Q	SER9

---

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

Chain	Residue	Details
B	TYR145
D	TYR145
Q	TYR145
S	TYR145

---