6LCW

Crosslinked alpha(Ni)-beta(Ni) human hemoglobin A in the T quaternary structure at 95 K: Dark

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue HNI A 201

Chain	Residue
A	TYR42
A	LEU91
A	VAL93
A	ASN97
A	PHE98
A	LEU101
A	LEU136
A	HOH303
A	HOH308
A	HOH398
A	PHE43
A	HIS45
A	PHE46
A	HIS58
A	LYS61
A	LEU83
A	LEU86
A	HIS87

---

site_id	AC2
Number of Residues	17
Details	binding site for residue HNI B 201

Chain	Residue
B	HIS63
B	LYS66
B	VAL67
B	ALA70
B	LEU88
B	LEU91
B	HIS92
B	LEU96
B	ASN102
B	PHE103
B	LEU141
B	HOH325
B	HOH344
B	HOH350
B	HOH362
B	HOH367
B	HOH396

---

site_id	AC3
Number of Residues	19
Details	binding site for residue HNI C 201

Chain	Residue
C	TYR42
C	PHE43
C	HIS45
C	PHE46
C	HIS58
C	LYS61
C	LEU83
C	LEU86
C	HIS87
C	LEU91
C	VAL93
C	ASN97
C	PHE98
C	LEU101
C	LEU136
C	HOH314
C	HOH361
C	HOH363
C	HOH379

---

site_id	AC4
Number of Residues	10
Details	binding site for residue HNI D 502

Chain	Residue
D	HIS63
D	LYS66
D	VAL67
D	LEU91
D	HIS92
D	LEU96
D	ASN102
D	PHE103
D	VAL137
D	LEU141

---

site_id	AC5
Number of Residues	19
Details	binding site for residue HNI E 201

Chain	Residue
C	ALA19
E	TYR42
E	PHE43
E	HIS45
E	HIS58
E	LYS61
E	LEU86
E	HIS87
E	LEU91
E	VAL93
E	ASN97
E	PHE98
E	LEU101
E	LEU136
E	HOH303
E	HOH326
E	HOH351
E	HOH377
E	HOH405

---

site_id	AC6
Number of Residues	11
Details	binding site for residue HNI F 201

Chain	Residue
F	HIS63
F	LYS66
F	VAL67
F	LEU88
F	LEU91
F	HIS92
F	LEU96
F	ASN102
F	PHE103
F	LEU141
F	HOH301

---

site_id	AC7
Number of Residues	18
Details	binding site for residue HNI G 201

Chain	Residue
G	LYS61
G	LEU86
G	HIS87
G	LEU91
G	VAL93
G	ASN97
G	PHE98
G	LEU101
G	LEU136
G	HOH314
G	HOH318
G	HOH370
G	HOH373
A	GLY18
G	TYR42
G	PHE43
G	HIS45
G	HIS58

---

site_id	AC8
Number of Residues	10
Details	binding site for residue HNI H 201

Chain	Residue
H	HIS63
H	LYS66
H	VAL67
H	LEU91
H	HIS92
H	LEU96
H	ASN102
H	PHE103
H	LEU141
H	HOH402

---

site_id	AC9
Number of Residues	12
Details	binding site for Di-peptide 2FU D 501 and LYS D 82

Chain	Residue
B	LYS82
D	ASN80
D	LEU81
D	GLY83
D	THR84
D	PHE85
D	ALA86
D	HIS143
D	LYS144
D	HOH613
D	HOH644
D	HOH685

---

site_id	AD1
Number of Residues	17
Details	binding site for Di-peptide 2FU F 202 and LYS H 82

Chain	Residue
F	ASN80
F	LEU81
F	GLY83
F	THR84
F	PHE85
F	ALA86
F	HOH341
F	HOH414
H	VAL1
H	ASN80
H	LEU81
H	GLY83
H	THR84
H	PHE85
H	ALA86
H	HOH336
H	HOH379

---

site_id	AD2
Number of Residues	10
Details	binding site for Di-peptide 2FU F 202 and LYS F 82

Chain	Residue
F	ASN80
F	LEU81
F	GLY83
F	THR84
F	PHE85
F	ALA86
F	HOH341
F	HOH414
H	VAL1
H	LYS82

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
B	VAL1
F	HIS2
F	LYS82
F	HIS143
H	VAL1
H	HIS2
H	LYS82
H	HIS143
B	HIS2
B	LYS82
B	HIS143
D	VAL1
D	HIS2
D	LYS82
D	HIS143
F	VAL1

---

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

Chain	Residue	Details
B	HIS63
D	HIS63
F	HIS63
H	HIS63

---

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

Chain	Residue	Details
B	HIS92
A	LEU91
A	LEU106
A	THR108
A	VAL121
A	SER133
C	THR8
C	ALA13
C	TYR24
C	LEU29
C	HIS45
D	HIS92
C	ASP47
C	SER52
C	VAL55
C	GLY59
C	LEU91
C	LEU106
C	THR108
C	VAL121
C	SER133
E	THR8
F	HIS92
E	ALA13
E	TYR24
E	LEU29
E	HIS45
E	ASP47
E	SER52
E	VAL55
E	GLY59
E	LEU91
E	LEU106
H	HIS92
E	THR108
E	VAL121
E	SER133
G	THR8
G	ALA13
G	TYR24
G	LEU29
G	HIS45
G	ASP47
G	SER52
A	HIS45
G	VAL55
G	GLY59
G	LEU91
G	LEU106
G	THR108
G	VAL121
G	SER133
A	ASP47
A	SER52
A	VAL55
A	GLY59

---

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	GLU7
B	GLY74
B	THR84
B	HIS92
B	ARG104
B	LEU110
B	GLY119
B	PHE122
B	ALA128
B	ALA140
B	LYS144
B	GLY25
D	GLU7
D	GLY25
D	GLY29
D	TYR35
D	TRP37
D	PHE45
D	ASP52
D	GLY56
D	PHE71
D	GLY74
B	GLY29
D	THR84
D	HIS92
D	ARG104
D	LEU110
D	GLY119
D	PHE122
D	ALA128
D	ALA140
D	LYS144
F	GLU7
B	TYR35
F	GLY25
F	GLY29
F	TYR35
F	TRP37
F	PHE45
F	ASP52
F	GLY56
F	PHE71
F	GLY74
F	THR84
B	TRP37
F	HIS92
F	ARG104
F	LEU110
F	GLY119
F	PHE122
F	ALA128
F	ALA140
F	LYS144
H	GLU7
H	GLY25
B	PHE45
H	GLY29
H	TYR35
H	TRP37
H	PHE45
H	ASP52
H	GLY56
H	PHE71
H	GLY74
H	THR84
H	HIS92
B	ASP52
H	ARG104
H	LEU110
H	GLY119
H	PHE122
H	ALA128
H	ALA140
H	LYS144
B	GLY56
B	PHE71

---

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

Chain	Residue	Details
B	LYS59
H	LYS59
H	LYS82
H	LYS95
B	LYS82
B	LYS95
D	LYS59
D	LYS82
D	LYS95
F	LYS59
F	LYS82
F	LYS95

---

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

Chain	Residue	Details
B	VAL1
G	LYS7
G	LYS16
G	LYS40
D	VAL1
F	VAL1
H	VAL1
C	LYS16
C	LYS40
E	LYS7
E	LYS16
E	LYS40

---

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

Chain	Residue	Details
B	SER9
B	SER44
D	SER9
D	SER44
F	SER9
F	SER44
H	SER9
H	SER44

---

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

Chain	Residue	Details
B	THR12
H	THR12
H	THR50
H	THR87
B	THR50
B	THR87
D	THR12
D	THR50
D	THR87
F	THR12
F	THR50
F	THR87

---

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

Chain	Residue	Details
B	LYS59
B	LYS82
D	LYS59
D	LYS82
F	LYS59
F	LYS82
H	LYS59
H	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
B	CYS93
E	SER124
E	SER131
E	SER138
G	SER102
G	SER124
G	SER131
G	SER138
D	CYS93
F	CYS93
H	CYS93
C	SER102
C	SER124
C	SER131
C	SER138
E	SER102

---

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

Chain	Residue	Details
B	LYS144
G	THR108
G	THR134
G	THR137
D	LYS144
F	LYS144
H	LYS144
C	THR134
C	THR137
E	THR108
E	THR134
E	THR137

---

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	VAL1
G	LYS7
G	LYS16
G	LYS40
D	VAL1
F	VAL1
H	VAL1
C	LYS16
C	LYS40
E	LYS7
E	LYS16
E	LYS40

---

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

Chain	Residue	Details
B	LYS8
F	LYS17
F	LYS66
F	LYS120
H	LYS8
H	LYS17
H	LYS66
H	LYS120
B	LYS17
B	LYS66
B	LYS120
D	LYS8
D	LYS17
D	LYS66
D	LYS120
F	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
B	LYS144
D	LYS144
F	LYS144
H	LYS144

---