1J3Y

Direct observation of photolysis-induced tertiary structural changes in human hemoglobin; Crystal structure of alpha(Fe)-beta(Ni) hemoglobin (laser photolysed)

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	0006954	biological_process	inflammatory response
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	0046872	molecular_function	metal ion binding
A	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
B	0046872	molecular_function	metal ion binding
B	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0046872	molecular_function	metal ion binding
C	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
D	0046872	molecular_function	metal ion binding
D	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0046872	molecular_function	metal ion binding
E	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
F	0046872	molecular_function	metal ion binding
F	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0046872	molecular_function	metal ion binding
G	0048821	biological_process	erythrocyte development
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	0006954	biological_process	inflammatory response
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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
H	0046872	molecular_function	metal ion binding
H	0048821	biological_process	erythrocyte development
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	19
Details	BINDING SITE FOR RESIDUE HEM A 142

Chain	Residue
A	TYR42
A	VAL93
A	ASN97
A	PHE98
A	LEU101
A	LEU136
A	CMO3143
A	HOH3223
A	HOH3358
A	HOH3375
A	HOH3425
A	PHE43
A	HIS45
A	HIS58
A	LYS61
A	LEU83
A	LEU86
A	HIS87
A	LEU91

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CMO A 3143

Chain	Residue
A	LEU29
A	HIS58
A	LEU101
A	HEM142

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HNI B 147

Chain	Residue
B	LEU31
B	PHE42
B	HIS63
B	LYS66
B	VAL67
B	ALA70
B	LEU91
B	HIS92
B	LEU96
B	ASN102
B	PHE103
B	LEU141
B	HOH152
B	HOH153
B	HOH164
B	HOH250
B	HOH259
B	HOH265
B	HOH312

---

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM C 142

Chain	Residue
C	TYR42
C	PHE43
C	HIS45
C	HIS58
C	LYS61
C	LEU83
C	LEU86
C	HIS87
C	LEU91
C	VAL93
C	ASN97
C	PHE98
C	LEU101
C	LEU136
C	CMO4143
C	HOH4271
C	HOH4284
C	HOH4290
C	HOH4324
C	HOH4336

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CMO C 4143

Chain	Residue
C	LEU29
C	HIS58
C	VAL62
C	LEU101
C	HEM142

---

site_id	AC6
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HNI D 147

Chain	Residue
D	LEU31
D	PHE42
D	HIS63
D	VAL67
D	LEU91
D	HIS92
D	LEU96
D	ASN102
D	PHE103
D	LEU141
D	HOH3076
D	HOH3185
D	HOH3211

---

site_id	AC7
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM E 142

Chain	Residue
E	HOH5314
E	HOH5325
C	ALA19
E	TYR42
E	PHE43
E	HIS45
E	PHE46
E	HIS58
E	LYS61
E	LEU83
E	LEU86
E	HIS87
E	LEU91
E	VAL93
E	ASN97
E	PHE98
E	LEU101
E	LEU136
E	CMO5143
E	HOH5168
E	HOH5259

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CMO E 5143

Chain	Residue
E	LEU29
E	HIS58
E	VAL62
E	HEM142

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HNI F 147

Chain	Residue
F	PHE42
F	HIS63
F	LYS66
F	VAL67
F	ALA70
F	LEU91
F	HIS92
F	LEU96
F	ASN102
F	PHE103
F	LEU141
F	HOH3151
F	HOH3184
F	HOH3271
F	HOH3286

---

site_id	BC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM G 142

Chain	Residue
A	GLY18
A	HOH3171
A	HOH3252
A	HOH3310
A	HOH3377
G	TYR42
G	PHE43
G	HIS45
G	HIS58
G	LYS61
G	LEU83
G	LEU86
G	HIS87
G	LEU91
G	VAL93
G	ASN97
G	PHE98
G	LEU101
G	LEU136
G	CMO6143
G	HOH6226
G	HOH6315

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CMO G 6143

Chain	Residue
G	LEU29
G	HIS58
G	LEU101
G	HEM142

---

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HNI H 147

Chain	Residue
H	PHE41
H	HIS63
H	VAL67
H	ALA70
H	LEU91
H	HIS92
H	LEU96
H	ASN102
H	PHE103
H	LEU141
H	HOH288
H	HOH304

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE 2FU D 3001

Chain	Residue
B	LYS82
D	VAL1
D	LYS82

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 2FU F 3002

Chain	Residue
F	VAL1
F	LYS82
F	HOH3039
F	HOH3095
F	HOH3288
H	VAL1
H	LYS82

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	32
Details	Peptide: {"description":"Hemopressin","featureId":"PRO_0000455882","evidences":[{"source":"PubMed","id":"18077343","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1136
Details	Domain: {"description":"Globin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	Binding site: {"description":"proximal binding residue","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	132
Details	Site: {"description":"(Microbial infection) Cleavage; by N.americanus apr-2","evidences":[{"source":"PubMed","id":"12552433","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	32
Details	Site: {"description":"Not glycated","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	20
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	12
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	16
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	16
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	12
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	16
Details	Glycosylation: {"description":"N-linked (Glc) (glycation) lysine; alternate","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI15
Number of Residues	20
Details	Glycosylation: {"description":"N-linked (Glc) (glycation) lysine","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI16
Number of Residues	36
Details	Peptide: {"description":"LVV-hemorphin-7","featureId":"PRO_0000296641"}

Chain

Residue

Details

---

site_id	SWS_FT_FI17
Number of Residues	24
Details	Peptide: {"description":"Spinorphin","featureId":"PRO_0000424226"}

Chain

Residue

Details

---

site_id	SWS_FT_FI18
Number of Residues	16
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI19
Number of Residues	4
Details	Binding site: {"description":"distal binding residue"}

Chain

Residue

Details

---

site_id	SWS_FT_FI20
Number of Residues	4
Details	Binding site: {"description":"proximal binding residue"}

Chain

Residue

Details

---

site_id	SWS_FT_FI21
Number of Residues	4
Details	Modified residue: {"description":"N-pyruvate 2-iminyl-valine; in Hb A1b"}

Chain

Residue

Details

---

site_id	SWS_FT_FI22
Number of Residues	8
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI23
Number of Residues	4
Details	Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"8637569","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9843411","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI24
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI25
Number of Residues	4
Details	Glycosylation: {"description":"N-linked (Glc) (glycation) valine; in Hb A1c","evidences":[{"source":"PubMed","id":"635569","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---