3SZK

Crystal Structure of Human metHaemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus

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
D	0004601	molecular_function	peroxidase activity
D	0005344	molecular_function	oxygen carrier activity
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	0005829	cellular_component	cytosol
D	0005833	cellular_component	hemoglobin complex
D	0015670	biological_process	carbon dioxide transport
D	0015671	biological_process	oxygen transport
D	0016020	cellular_component	membrane
D	0019825	molecular_function	oxygen binding
D	0020037	molecular_function	heme binding
D	0030185	biological_process	nitric oxide transport
D	0031720	molecular_function	haptoglobin 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	0046872	molecular_function	metal ion binding
D	0070062	cellular_component	extracellular exosome
D	0071682	cellular_component	endocytic vesicle lumen
D	0072562	cellular_component	blood microparticle
D	0098869	biological_process	cellular oxidant detoxification
E	0004601	molecular_function	peroxidase activity
E	0005344	molecular_function	oxygen carrier activity
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	0008217	biological_process	regulation of blood pressure
E	0015670	biological_process	carbon dioxide transport
E	0015671	biological_process	oxygen transport
E	0019825	molecular_function	oxygen binding
E	0020037	molecular_function	heme binding
E	0030185	biological_process	nitric oxide transport
E	0030492	molecular_function	hemoglobin binding
E	0031720	molecular_function	haptoglobin binding
E	0031721	molecular_function	hemoglobin alpha 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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
E	0046872	molecular_function	metal ion binding
E	0070062	cellular_component	extracellular exosome
E	0070293	biological_process	renal absorption
E	0070527	biological_process	platelet aggregation
E	0071682	cellular_component	endocytic vesicle lumen
E	0072562	cellular_component	blood microparticle
E	0097746	biological_process	blood vessel diameter maintenance
E	0098869	biological_process	cellular oxidant detoxification
E	1904724	cellular_component	tertiary granule lumen
E	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM D 142

Chain	Residue
D	TYR42
D	LEU91
D	VAL93
D	PHE98
D	LEU101
D	LEU136
D	PHE43
D	PHE46
D	HIS58
D	LYS61
D	ALA65
D	LEU83
D	LEU86
D	HIS87

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM B 147

Chain	Residue
B	PHE41
B	PHE42
B	HIS63
B	ALA70
B	PHE71
B	LEU88
B	LEU91
B	HIS92
B	LEU96
B	VAL98
B	ASN102
B	PHE103
B	LEU106

---

site_id	AC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEM E 147

Chain	Residue
E	PHE41
E	PHE42
E	HIS63
E	VAL67
E	ALA70
E	PHE71
E	LEU88
E	HIS92
E	LEU96
E	VAL98
E	ASN102
E	LEU106

---

site_id	AC4
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM A 142

Chain	Residue
A	TYR42
A	PHE43
A	PHE46
A	HIS58
A	LYS61
A	ALA65
A	LEU83
A	LEU86
A	HIS87
A	VAL93
A	ASN97
A	PHE98
A	LEU101

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
B	VAL1
B	HIS2
B	LYS82
B	HIS143
E	VAL1
E	HIS2
E	LYS82
E	HIS143

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: distal binding residue

Chain	Residue	Details
B	HIS63
E	HIS63

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: proximal binding residue

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

---

site_id	SWS_FT_FI4
Number of Residues	38
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
E	GLU7
E	GLY25
E	GLY29
E	TYR35
E	TRP37
E	PHE45
E	ASP52
E	GLY56
E	PHE71
E	GLY74
B	GLY29
E	THR84
E	HIS92
E	ARG104
E	LEU110
E	GLY119
E	PHE122
E	ALA128
E	ALA140
E	LYS144
B	TYR35
B	TRP37
B	PHE45
B	ASP52
B	GLY56
B	PHE71

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	SITE: Not glycated => ECO:0000269|PubMed:7358733

Chain	Residue	Details
B	LYS59
B	LYS82
B	LYS95
E	LYS59
E	LYS82
E	LYS95

---

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

Chain	Residue	Details
B	VAL1
E	VAL1
D	LYS40
A	LYS7
A	LYS16
A	LYS40

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
B	SER9
B	SER44
E	SER9
E	SER44

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569

Chain	Residue	Details
B	THR12
B	THR50
B	THR87
E	THR12
E	THR50
E	THR87

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:4531009

Chain	Residue	Details
B	LYS59
B	LYS82
E	LYS59
E	LYS82

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	MOD_RES: S-nitrosocysteine => ECO:0000269|PubMed:8637569, ECO:0000269|PubMed:9843411

Chain	Residue	Details
B	CYS93
E	CYS93
D	SER131
D	SER138
A	SER102
A	SER124
A	SER131
A	SER138

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:4531009

Chain	Residue	Details
B	LYS144
E	LYS144
D	THR137
A	THR108
A	THR134
A	THR137

---

site_id	SWS_FT_FI12
Number of Residues	2
Details	CARBOHYD: N-linked (Glc) (glycation) valine; in Hb A1c => ECO:0000269|PubMed:635569

Chain	Residue	Details
B	VAL1
E	VAL1
D	LYS40
A	LYS7
A	LYS16
A	LYS40

---

site_id	SWS_FT_FI13
Number of Residues	8
Details	CARBOHYD: N-linked (Glc) (glycation) lysine => ECO:0000269|PubMed:7358733

Chain	Residue	Details
B	LYS8
B	LYS17
B	LYS66
B	LYS120
E	LYS8
E	LYS17
E	LYS66
E	LYS120

---

site_id	SWS_FT_FI14
Number of Residues	2
Details	CARBOHYD: N-linked (Glc) (glycation) lysine; alternate => ECO:0000269|PubMed:7358733

Chain	Residue	Details
B	LYS144
E	LYS144

---