3KMF

Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004601	molecular_function	peroxidase activity
A	0005344	molecular_function	oxygen carrier activity
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
C	0004601	molecular_function	peroxidase activity
C	0005344	molecular_function	oxygen carrier activity
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	0008217	biological_process	regulation of blood pressure
C	0015670	biological_process	carbon dioxide transport
C	0015671	biological_process	oxygen transport
C	0019825	molecular_function	oxygen binding
C	0020037	molecular_function	heme binding
C	0030185	biological_process	nitric oxide transport
C	0030492	molecular_function	hemoglobin binding
C	0031720	molecular_function	haptoglobin binding
C	0031721	molecular_function	hemoglobin alpha 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	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
C	0046872	molecular_function	metal ion binding
C	0070062	cellular_component	extracellular exosome
C	0070293	biological_process	renal absorption
C	0070527	biological_process	platelet aggregation
C	0071682	cellular_component	endocytic vesicle lumen
C	0072562	cellular_component	blood microparticle
C	0097746	biological_process	blood vessel diameter maintenance
C	0098869	biological_process	cellular oxidant detoxification
C	1904724	cellular_component	tertiary granule lumen
C	1904813	cellular_component	ficolin-1-rich granule lumen
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	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	0043177	molecular_function	organic acid binding
E	0046872	molecular_function	metal ion binding
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
G	0004601	molecular_function	peroxidase activity
G	0005344	molecular_function	oxygen carrier activity
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	0008217	biological_process	regulation of blood pressure
G	0015670	biological_process	carbon dioxide transport
G	0015671	biological_process	oxygen transport
G	0019825	molecular_function	oxygen binding
G	0020037	molecular_function	heme binding
G	0030185	biological_process	nitric oxide transport
G	0030492	molecular_function	hemoglobin binding
G	0031720	molecular_function	haptoglobin binding
G	0031721	molecular_function	hemoglobin alpha 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	0043177	molecular_function	organic acid binding
G	0045429	biological_process	positive regulation of nitric oxide biosynthetic process
G	0046872	molecular_function	metal ion binding
G	0070062	cellular_component	extracellular exosome
G	0070293	biological_process	renal absorption
G	0070527	biological_process	platelet aggregation
G	0071682	cellular_component	endocytic vesicle lumen
G	0072562	cellular_component	blood microparticle
G	0097746	biological_process	blood vessel diameter maintenance
G	0098869	biological_process	cellular oxidant detoxification
G	1904724	cellular_component	tertiary granule lumen
G	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 142

Chain	Residue
A	TYR42
A	PHE98
A	LEU101
A	DOD1060
A	DOD1087
A	DOD1120
A	PHE43
A	HIS45
A	HIS58
A	LEU86
A	HIS87
A	LEU91
A	VAL93
A	ASN97

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HEM C 347

Chain	Residue
C	HIS263
C	LYS266
C	LEU291
C	HIS292
C	LEU296
C	VAL298
C	ASN302
C	LEU341
C	DOD1199

---

site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE HEM E 542

Chain	Residue
E	TYR442
E	PHE443
E	HIS445
E	HIS458
E	LYS461
E	LEU486
E	HIS487
E	LEU491
E	ASN497
E	PHE498
E	LEU536
E	DOD1048
E	DOD1137

---

site_id	AC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE HEM G 747

Chain	Residue
G	PHE642
G	HIS663
G	VAL667
G	HIS692
G	LEU696
G	ASN702
G	PHE703
G	LEU741

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
C	LYS282
C	HIS343
G	VAL601
G	HIS602
G	LYS682
G	HIS743
C	VAL201
C	HIS202

---

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

Chain	Residue	Details
C	HIS263
G	HIS663

---

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

Chain	Residue	Details
A	TYR24
A	LEU29
A	HIS45
A	ASP47
A	SER52
A	VAL55
A	GLY59
A	LEU91
A	LEU106
A	THR108
A	VAL121
A	SER133
E	THR408
E	ALA413
E	TYR424
E	LEU429
E	HIS445
E	ASP447
E	SER452
E	VAL455
E	GLY459
E	LEU491
E	LEU506
E	THR508
E	VAL521
E	SER533
C	HIS292
G	HIS692

---

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
C	THR284
C	HIS292
C	ARG304
C	LEU310
C	GLY319
C	PHE322
C	ALA328
C	ALA340
C	LYS344
G	GLU607
G	GLY625
G	GLY629
G	TYR635
G	TRP637
G	PHE645
G	ASP652
G	GLY656
G	PHE671
G	GLY674
G	THR684
G	HIS692
G	ARG704
G	LEU710
G	GLY719
G	PHE722
G	ALA728
G	ALA740
G	LYS744
C	GLU207
C	GLY225
C	GLY229
C	TYR235
C	TRP237
C	PHE245
C	ASP252
C	GLY256
C	PHE271
C	GLY274

---

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

Chain	Residue	Details
C	LYS259
C	LYS282
C	LYS295
G	LYS659
G	LYS682
G	LYS695

---

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

Chain	Residue	Details
C	VAL201
G	VAL601
A	LYS40
E	LYS407
E	LYS416
E	LYS440

---

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

Chain	Residue	Details
G	SER609
G	SER644
C	SER209
C	SER244

---

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

Chain	Residue	Details
G	THR650
G	THR687
C	THR212
C	THR250
C	THR287
G	THR612

---

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

Chain	Residue	Details
C	LYS259
C	LYS282
G	LYS659
G	LYS682

---

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
E	SER531
E	SER538
E	SER502
E	SER524
C	CYS293
G	CYS693
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
A	THR137
E	THR508
E	THR534
E	THR537
C	LYS344
G	LYS744

---

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
A	LYS40
E	LYS407
E	LYS416
E	LYS440
C	VAL201
G	VAL601

---

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

Chain	Residue	Details
C	LYS266
C	LYS320
G	LYS608
G	LYS617
G	LYS666
G	LYS720
C	LYS208
C	LYS217

---

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

Chain	Residue	Details
C	LYS344
G	LYS744

---