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3KMF

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

Functional Information from GO Data
ChainGOidnamespacecontents
A0004601molecular_functionperoxidase activity
A0005344molecular_functionoxygen carrier activity
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005829cellular_componentcytosol
A0005833cellular_componenthemoglobin complex
A0006954biological_processinflammatory response
A0015670biological_processcarbon dioxide transport
A0015671biological_processoxygen transport
A0016020cellular_componentmembrane
A0020037molecular_functionheme binding
A0030185biological_processnitric oxide transport
A0031720molecular_functionhaptoglobin binding
A0031838cellular_componenthaptoglobin-hemoglobin complex
A0042542biological_processresponse to hydrogen peroxide
A0042744biological_processhydrogen peroxide catabolic process
A0046872molecular_functionmetal ion binding
A0048821biological_processerythrocyte development
A0070062cellular_componentextracellular exosome
A0071682cellular_componentendocytic vesicle lumen
A0072562cellular_componentblood microparticle
A0098869biological_processcellular oxidant detoxification
C0004601molecular_functionperoxidase activity
C0005344molecular_functionoxygen carrier activity
C0005515molecular_functionprotein binding
C0005576cellular_componentextracellular region
C0005615cellular_componentextracellular space
C0005829cellular_componentcytosol
C0005833cellular_componenthemoglobin complex
C0006954biological_processinflammatory response
C0008217biological_processregulation of blood pressure
C0015670biological_processcarbon dioxide transport
C0015671biological_processoxygen transport
C0019825molecular_functionoxygen binding
C0020037molecular_functionheme binding
C0030185biological_processnitric oxide transport
C0030492molecular_functionhemoglobin binding
C0031720molecular_functionhaptoglobin binding
C0031721molecular_functionhemoglobin alpha binding
C0031838cellular_componenthaptoglobin-hemoglobin complex
C0042542biological_processresponse to hydrogen peroxide
C0042744biological_processhydrogen peroxide catabolic process
C0045429biological_processpositive regulation of nitric oxide biosynthetic process
C0046872molecular_functionmetal ion binding
C0048821biological_processerythrocyte development
C0070062cellular_componentextracellular exosome
C0070293biological_processrenal absorption
C0070527biological_processplatelet aggregation
C0071682cellular_componentendocytic vesicle lumen
C0072562cellular_componentblood microparticle
C0097746biological_processblood vessel diameter maintenance
C0098869biological_processcellular oxidant detoxification
C1904724cellular_componenttertiary granule lumen
C1904813cellular_componentficolin-1-rich granule lumen
E0004601molecular_functionperoxidase activity
E0005344molecular_functionoxygen carrier activity
E0005515molecular_functionprotein binding
E0005576cellular_componentextracellular region
E0005615cellular_componentextracellular space
E0005829cellular_componentcytosol
E0005833cellular_componenthemoglobin complex
E0006954biological_processinflammatory response
E0015670biological_processcarbon dioxide transport
E0015671biological_processoxygen transport
E0016020cellular_componentmembrane
E0020037molecular_functionheme binding
E0030185biological_processnitric oxide transport
E0031720molecular_functionhaptoglobin binding
E0031838cellular_componenthaptoglobin-hemoglobin complex
E0042542biological_processresponse to hydrogen peroxide
E0042744biological_processhydrogen peroxide catabolic process
E0046872molecular_functionmetal ion binding
E0048821biological_processerythrocyte development
E0070062cellular_componentextracellular exosome
E0071682cellular_componentendocytic vesicle lumen
E0072562cellular_componentblood microparticle
E0098869biological_processcellular oxidant detoxification
G0004601molecular_functionperoxidase activity
G0005344molecular_functionoxygen carrier activity
G0005515molecular_functionprotein binding
G0005576cellular_componentextracellular region
G0005615cellular_componentextracellular space
G0005829cellular_componentcytosol
G0005833cellular_componenthemoglobin complex
G0006954biological_processinflammatory response
G0008217biological_processregulation of blood pressure
G0015670biological_processcarbon dioxide transport
G0015671biological_processoxygen transport
G0019825molecular_functionoxygen binding
G0020037molecular_functionheme binding
G0030185biological_processnitric oxide transport
G0030492molecular_functionhemoglobin binding
G0031720molecular_functionhaptoglobin binding
G0031721molecular_functionhemoglobin alpha binding
G0031838cellular_componenthaptoglobin-hemoglobin complex
G0042542biological_processresponse to hydrogen peroxide
G0042744biological_processhydrogen peroxide catabolic process
G0045429biological_processpositive regulation of nitric oxide biosynthetic process
G0046872molecular_functionmetal ion binding
G0048821biological_processerythrocyte development
G0070062cellular_componentextracellular exosome
G0070293biological_processrenal absorption
G0070527biological_processplatelet aggregation
G0071682cellular_componentendocytic vesicle lumen
G0072562cellular_componentblood microparticle
G0097746biological_processblood vessel diameter maintenance
G0098869biological_processcellular oxidant detoxification
G1904724cellular_componenttertiary granule lumen
G1904813cellular_componentficolin-1-rich granule lumen
Functional Information from PDB Data
site_idAC1
Number of Residues14
DetailsBINDING SITE FOR RESIDUE HEM A 142
ChainResidue
ATYR42
APHE98
ALEU101
ADOD1060
ADOD1087
ADOD1120
APHE43
AHIS45
AHIS58
ALEU86
AHIS87
ALEU91
AVAL93
AASN97

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE HEM C 347
ChainResidue
CHIS263
CLYS266
CLEU291
CHIS292
CLEU296
CVAL298
CASN302
CLEU341
CDOD1199

site_idAC3
Number of Residues13
DetailsBINDING SITE FOR RESIDUE HEM E 542
ChainResidue
ETYR442
EPHE443
EHIS445
EHIS458
ELYS461
ELEU486
EHIS487
ELEU491
EASN497
EPHE498
ELEU536
EDOD1048
EDOD1137

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE HEM G 747
ChainResidue
GPHE642
GHIS663
GVAL667
GHIS692
GLEU696
GASN702
GPHE703
GLEU741

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues16
DetailsPeptide: {"description":"Hemopressin","featureId":"PRO_0000455882","evidences":[{"source":"PubMed","id":"18077343","evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues568
DetailsDomain: {"description":"Globin","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues2
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues2
DetailsBinding site: {"description":"proximal binding residue","evidences":[{"source":"PROSITE-ProRule","id":"PRU00238","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues66
DetailsSite: {"description":"(Microbial infection) Cleavage; by N.americanus apr-2","evidences":[{"source":"PubMed","id":"12552433","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI6
Number of Residues16
DetailsSite: {"description":"Not glycated","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI7
Number of Residues10
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI8
Number of Residues6
DetailsModified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI9
Number of Residues8
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI10
Number of Residues2
DetailsModified residue: {"description":"N6-succinyllysine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI11
Number of Residues2
DetailsModified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"24275569","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails

site_idSWS_FT_FI12
Number of Residues8
DetailsModified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI13
Number of Residues6
DetailsModified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P01942","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails

site_idSWS_FT_FI14
Number of Residues8
DetailsGlycosylation: {"description":"N-linked (Glc) (glycation) lysine; alternate","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI15
Number of Residues10
DetailsGlycosylation: {"description":"N-linked (Glc) (glycation) lysine","evidences":[{"source":"PubMed","id":"7358733","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI16
Number of Residues18
DetailsPeptide: {"description":"LVV-hemorphin-7","featureId":"PRO_0000296641"}
ChainResidueDetails

site_idSWS_FT_FI17
Number of Residues12
DetailsPeptide: {"description":"Spinorphin","featureId":"PRO_0000424226"}
ChainResidueDetails

site_idSWS_FT_FI18
Number of Residues8
DetailsBinding site: {}
ChainResidueDetails

site_idSWS_FT_FI19
Number of Residues2
DetailsBinding site: {"description":"distal binding residue"}
ChainResidueDetails

site_idSWS_FT_FI20
Number of Residues2
DetailsBinding site: {"description":"proximal binding residue"}
ChainResidueDetails

site_idSWS_FT_FI21
Number of Residues2
DetailsModified residue: {"description":"N-pyruvate 2-iminyl-valine; in Hb A1b"}
ChainResidueDetails

site_idSWS_FT_FI22
Number of Residues4
DetailsModified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI23
Number of Residues2
DetailsModified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"8637569","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9843411","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI24
Number of Residues2
DetailsModified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"4531009","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

site_idSWS_FT_FI25
Number of Residues2
DetailsGlycosylation: {"description":"N-linked (Glc) (glycation) valine; in Hb A1c","evidences":[{"source":"PubMed","id":"635569","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

242842

PDB entries from 2025-10-08

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