Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5EE4

The crystal structure of HpuA from Kingella denitrificans in complex with human haemoglobin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0009279	cellular_component	cell outer membrane
B	0009279	cellular_component	cell outer membrane
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue GOL A 401

Chain	Residue
A	GLU269
A	HIS278
A	GLY282
A	ARG304

site_id	AC2
Number of Residues	13
Details	binding site for residue HEM C 201

Chain	Residue
C	LEU86
C	HIS87
C	LEU91
C	ASN97
C	PHE98
C	OXY202
C	HOH306
C	HOH327
C	TYR42
C	PHE43
C	PHE46
C	HIS58
C	LEU83

site_id	AC3
Number of Residues	3
Details	binding site for residue OXY C 202

Chain	Residue
C	HIS58
C	VAL62
C	HEM201

site_id	AC4
Number of Residues	11
Details	binding site for residue HEM D 201

Chain	Residue
D	PHE41
D	PHE42
D	HIS63
D	LEU88
D	HIS92
D	LEU96
D	ASN102
D	LEU106
D	VAL137
D	LEU141
D	OXY202

site_id	AC5
Number of Residues	3
Details	binding site for residue OXY D 202

Chain	Residue
D	HIS63
D	VAL67
D	HEM201

site_id	AC6
Number of Residues	6
Details	binding site for residue GOL D 203

Chain	Residue
D	VAL1
D	LEU78
D	ASP79
D	ASN80
D	LEU81
D	LYS82

site_id	AC7
Number of Residues	14
Details	binding site for residue HEM E 201

Chain	Residue
E	TYR42
E	PHE43
E	HIS58
E	LYS61
E	LEU83
E	HIS87
E	LEU91
E	ASN97
E	PHE98
E	LEU101
E	LEU136
E	OXY202
E	HOH320
E	HOH339

site_id	AC8
Number of Residues	3
Details	binding site for residue OXY E 202

Chain	Residue
E	HIS58
E	VAL62
E	HEM201

site_id	AC9
Number of Residues	13
Details	binding site for residue HEM F 201

Chain	Residue
F	PHE41
F	PHE42
F	HIS63
F	PHE71
F	LEU88
F	LEU91
F	HIS92
F	LEU96
F	ASN102
F	LEU106
F	VAL137
F	LEU141
F	OXY202

site_id	AD1
Number of Residues	3
Details	binding site for residue OXY F 202

Chain	Residue
F	HIS63
F	VAL67
F	HEM201

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

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

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

Chain	Residue	Details
D	HIS63
F	HIS63

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

Chain	Residue	Details
D	HIS92
C	LEU91
C	LEU106
C	THR108
C	VAL121
C	SER133
E	THR8
E	ALA13
E	TYR24
E	LEU29
E	HIS45
F	HIS92
E	ASP47
E	SER52
E	VAL55
E	GLY59
E	LEU91
E	LEU106
E	THR108
E	VAL121
E	SER133
C	TYR24
C	LEU29
C	HIS45
C	ASP47
C	SER52
C	VAL55
C	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
D	GLU7
D	GLY74
D	THR84
D	HIS92
D	ARG104
D	LEU110
D	GLY119
D	PHE122
D	ALA128
D	ALA140
D	LYS144
D	GLY25
F	GLU7
F	GLY25
F	GLY29
F	TYR35
F	TRP37
F	PHE45
F	ASP52
F	GLY56
F	PHE71
F	GLY74
D	GLY29
F	THR84
F	HIS92
F	ARG104
F	LEU110
F	GLY119
F	PHE122
F	ALA128
F	ALA140
F	LYS144
D	TYR35
D	TRP37
D	PHE45
D	ASP52
D	GLY56
D	PHE71

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

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

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

Chain	Residue	Details
D	VAL1
F	VAL1
C	LYS40
E	LYS7
E	LYS16
E	LYS40

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

Chain	Residue	Details
D	SER9
D	SER44
F	SER9
F	SER44

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

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

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

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

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

Chain	Residue	Details
D	LYS144
F	LYS144
C	THR137
E	THR108
E	THR134
E	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
D	VAL1
F	VAL1
C	LYS40
E	LYS7
E	LYS16
E	LYS40

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

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

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)