3WHM

Structure of Hemoglobin Complex with 18-crown-6

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
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	18
Details	BINDING SITE FOR RESIDUE HEM A 201

Chain	Residue
A	TYR42
A	VAL93
A	ASN97
A	PHE98
A	LEU101
A	LEU136
A	OXY203
A	HOH337
A	HOH365
A	HOH396
A	PHE43
A	HIS45
A	HIS58
A	LYS61
A	LEU83
A	LEU86
A	HIS87
A	LEU91

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE O4B A 202

Chain	Residue
A	LEU34
A	PRO37
A	LYS40
A	LEU48
B	O4B202

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OXY A 203

Chain	Residue
A	HIS58
A	VAL62
A	HEM201

---

site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE HEM B 201

Chain	Residue
B	THR38
B	PHE41
B	PHE42
B	HIS63
B	ALA70
B	LEU88
B	HIS92
B	LEU96
B	VAL98
B	ASN102
B	PHE103
B	LEU106
B	LEU141
B	OXY203
B	HOH367

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE O4B B 202

Chain	Residue
A	LYS40
A	PHE43
A	PRO44
A	PHE46
A	LEU48
A	O4B202
B	LYS59
B	ALA62

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OXY B 203

Chain	Residue
B	HIS63
B	VAL67
B	HEM201

---

site_id	AC7
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM E 201

Chain	Residue
E	TYR42
E	PHE43
E	HIS45
E	HIS58
E	LYS61
E	LEU83
E	LEU86
E	HIS87
E	LEU91
E	VAL93
E	ASN97
E	PHE98
E	LEU101
E	LEU136
E	OXY204
E	HOH310
E	HOH382

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE O4B E 202

Chain	Residue
B	TRP15
B	VAL20
B	GLY69
B	SER72
E	LYS11
E	ALA71
E	VAL73
E	ASP74

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE O4B E 203

Chain	Residue
E	LEU34
E	PRO37
E	LYS40
E	LEU48
F	O4B202

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OXY E 204

Chain	Residue
E	HIS58
E	VAL62
E	HEM201

---

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HEM F 201

Chain	Residue
F	PHE41
F	PHE42
F	HIS63
F	LEU88
F	HIS92
F	LEU96
F	VAL98
F	ASN102
F	PHE103
F	LEU106
F	LEU141
F	HOH338

---

site_id	BC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE O4B F 202

Chain	Residue
E	PRO44
E	PHE46
E	LEU48
E	O4B203
F	PRO58
F	LYS59
F	ALA62
E	LYS40
E	PHE43

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	16
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	2
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"description":"proximal binding residue","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	64
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_FI5
Number of Residues	16
Details	Site: {"description":"Not glycated","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	10
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	6
Details	Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	8
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Modified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	8
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	6
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	8
Details	Glycosylation: {"description":"N-linked (Glc) (glycation) lysine; alternate","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	10
Details	Glycosylation: {"description":"N-linked (Glc) (glycation) lysine","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI15
Number of Residues	18
Details	Peptide: {"description":"LVV-hemorphin-7","featureId":"PRO_0000296641"}

Chain

Residue

Details

---

site_id	SWS_FT_FI16
Number of Residues	12
Details	Peptide: {"description":"Spinorphin","featureId":"PRO_0000424226"}

Chain

Residue

Details

---

site_id	SWS_FT_FI17
Number of Residues	6
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI18
Number of Residues	2
Details	Binding site: {"description":"distal binding residue"}

Chain

Residue

Details

---

site_id	SWS_FT_FI19
Number of Residues	2
Details	Binding site: {"description":"proximal binding residue"}

Chain

Residue

Details

---

site_id	SWS_FT_FI20
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI21
Number of Residues	2
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_FI22
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---