1B86

HUMAN DEOXYHAEMOGLOBIN-2,3-DIPHOSPHOGLYCERATE COMPLEX

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM A 143

Chain	Residue
A	TYR42
A	ASN97
A	PHE98
A	VAL132
A	LEU136
A	OXY144
A	PHE43
A	HIS45
A	PHE46
A	HIS58
A	LEU83
A	HIS87
A	LEU91
A	VAL93

---

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OXY A 144

Chain	Residue
A	HIS58
A	VAL62
A	HEM143

---

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM B 291

Chain	Residue
A	HIS72
A	ASP75
B	HOH65
B	HOH66
B	HOH126
B	PHE184
B	HIS206
B	LYS209
B	VAL210
B	ALA213
B	LEU231
B	LEU234
B	HIS235
B	LEU239
B	ASN245
B	LEU249
B	LEU284

---

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM C 543

Chain	Residue
B	LYS160
B	GLU264
C	HOH50
C	HOH59
C	TYR442
C	PHE443
C	HIS445
C	PHE446
C	HIS458
C	LYS461
C	ALA465
C	LEU486
C	HIS487
C	LEU491
C	VAL493
C	ASN497
C	PHE498
C	LEU536
C	OXY544

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE OXY C 544

Chain	Residue
C	PHE443
C	HIS458
C	HEM543

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE HEM D 691

Chain	Residue
D	HOH127
D	PHE585
D	HIS606
D	LYS609
D	VAL610
D	HIS635
D	LEU639
D	ASN645
D	LEU649
D	LEU684

---

site_id	AC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE DG2 D 701

Chain	Residue
B	HIS145
B	LYS225
D	HOH105
D	HOH112
D	HOH123
D	HIS545
D	LYS625

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
B	HIS145
B	LEU146
B	GLY226
B	LYS287
D	HIS545
D	LEU546
D	GLY626
D	LYS687

---

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

Chain	Residue	Details
B	GLY207
D	GLY607

---

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

Chain	Residue	Details
B	CYS236
A	ARG92
A	VAL107
A	LEU109
A	HIS122
A	THR134
C	ASN409
C	TRP414
C	GLY425
C	GLU430
C	PHE446
D	CYS636
C	LEU448
C	ALA453
C	LYS456
C	LYS460
C	ARG492
C	VAL507
C	LEU509
C	HIS522
C	THR534
A	GLY25
A	GLU30
A	PHE46
A	LEU48
A	ALA53
A	LYS56
A	LYS60

---

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	LYS151
B	LEU218
B	PHE228
B	CYS236
B	LEU248
B	VAL254
B	LYS263
B	THR266
B	ALA272
B	LEU284
B	TYR288
B	GLU169
D	LYS551
D	GLU569
D	ARG573
D	PRO579
D	THR581
D	GLY589
D	ALA596
D	ASN600
D	SER615
D	LEU618
B	ARG173
D	PHE628
D	CYS636
D	LEU648
D	VAL654
D	LYS663
D	THR666
D	ALA672
D	LEU684
D	TYR688
B	PRO179
B	THR181
B	GLY189
B	ALA196
B	ASN200
B	SER215

---

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

Chain	Residue	Details
B	VAL203
B	GLY226
B	LEU239
D	VAL603
D	GLY626
D	LEU639

---

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

Chain	Residue	Details
B	HIS145
D	HIS545
A	THR41
C	THR408
C	VAL417
C	THR441

---

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

Chain	Residue	Details
B	ALA153
B	PHE188
D	ALA553
D	PHE588

---

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

Chain	Residue	Details
B	ALA156
B	PRO194
B	LEU231
D	ALA556
D	PRO594
D	LEU631

---

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

Chain	Residue	Details
B	VAL203
B	GLY226
D	VAL603
D	GLY626

---

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	ASP237
D	ASP637
A	VAL132
A	LYS139
C	HIS503
C	LEU525
C	VAL532
C	LYS539

---

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

Chain	Residue	Details
B	TYR288
D	TYR688
A	SER138
C	LEU509
C	VAL535
C	SER538

---

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	HIS145
D	HIS545
A	THR41
C	THR408
C	VAL417
C	THR441

---

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

Chain	Residue	Details
B	SER152
B	VAL161
B	VAL210
B	GLU264
D	SER552
D	VAL561
D	VAL610
D	GLU664

---

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	TYR288
D	TYR688

---