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5HLV

Crystal structure of calcium and zinc-bound human S100A8 in space group P212121

Functional Information from GO Data
ChainGOidnamespacecontents
A0002376biological_processimmune system process
A0002523biological_processleukocyte migration involved in inflammatory response
A0002544biological_processchronic inflammatory response
A0002790biological_processpeptide secretion
A0002793biological_processpositive regulation of peptide secretion
A0005509molecular_functioncalcium ion binding
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005856cellular_componentcytoskeleton
A0005886cellular_componentplasma membrane
A0006914biological_processautophagy
A0006915biological_processapoptotic process
A0006935biological_processchemotaxis
A0006954biological_processinflammatory response
A0008017molecular_functionmicrotubule binding
A0008270molecular_functionzinc ion binding
A0010043biological_processresponse to zinc ion
A0014002biological_processastrocyte development
A0018119biological_processpeptidyl-cysteine S-nitrosylation
A0030307biological_processpositive regulation of cell growth
A0030593biological_processneutrophil chemotaxis
A0031012cellular_componentextracellular matrix
A0032496biological_processresponse to lipopolysaccharide
A0034121biological_processregulation of toll-like receptor signaling pathway
A0034774cellular_componentsecretory granule lumen
A0035425biological_processautocrine signaling
A0035662molecular_functionToll-like receptor 4 binding
A0042742biological_processdefense response to bacterium
A0043542biological_processendothelial cell migration
A0045087biological_processinnate immune response
A0045111cellular_componentintermediate filament cytoskeleton
A0045471biological_processresponse to ethanol
A0046872molecular_functionmetal ion binding
A0048306molecular_functioncalcium-dependent protein binding
A0050544molecular_functionarachidonate binding
A0050729biological_processpositive regulation of inflammatory response
A0050786molecular_functionRAGE receptor binding
A0050832biological_processdefense response to fungus
A0051493biological_processregulation of cytoskeleton organization
A0070062cellular_componentextracellular exosome
A0070488biological_processneutrophil aggregation
A1990660cellular_componentcalprotectin complex
A1990661cellular_componentS100A8 complex
A2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
B0002376biological_processimmune system process
B0002523biological_processleukocyte migration involved in inflammatory response
B0002544biological_processchronic inflammatory response
B0002790biological_processpeptide secretion
B0002793biological_processpositive regulation of peptide secretion
B0005509molecular_functioncalcium ion binding
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005829cellular_componentcytosol
B0005856cellular_componentcytoskeleton
B0005886cellular_componentplasma membrane
B0006914biological_processautophagy
B0006915biological_processapoptotic process
B0006935biological_processchemotaxis
B0006954biological_processinflammatory response
B0008017molecular_functionmicrotubule binding
B0008270molecular_functionzinc ion binding
B0010043biological_processresponse to zinc ion
B0014002biological_processastrocyte development
B0018119biological_processpeptidyl-cysteine S-nitrosylation
B0030307biological_processpositive regulation of cell growth
B0030593biological_processneutrophil chemotaxis
B0031012cellular_componentextracellular matrix
B0032496biological_processresponse to lipopolysaccharide
B0034121biological_processregulation of toll-like receptor signaling pathway
B0034774cellular_componentsecretory granule lumen
B0035425biological_processautocrine signaling
B0035662molecular_functionToll-like receptor 4 binding
B0042742biological_processdefense response to bacterium
B0043542biological_processendothelial cell migration
B0045087biological_processinnate immune response
B0045111cellular_componentintermediate filament cytoskeleton
B0045471biological_processresponse to ethanol
B0046872molecular_functionmetal ion binding
B0048306molecular_functioncalcium-dependent protein binding
B0050544molecular_functionarachidonate binding
B0050729biological_processpositive regulation of inflammatory response
B0050786molecular_functionRAGE receptor binding
B0050832biological_processdefense response to fungus
B0051493biological_processregulation of cytoskeleton organization
B0070062cellular_componentextracellular exosome
B0070488biological_processneutrophil aggregation
B1990660cellular_componentcalprotectin complex
B1990661cellular_componentS100A8 complex
B2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
C0002376biological_processimmune system process
C0002523biological_processleukocyte migration involved in inflammatory response
C0002544biological_processchronic inflammatory response
C0002790biological_processpeptide secretion
C0002793biological_processpositive regulation of peptide secretion
C0005509molecular_functioncalcium ion binding
C0005515molecular_functionprotein binding
C0005576cellular_componentextracellular region
C0005615cellular_componentextracellular space
C0005634cellular_componentnucleus
C0005737cellular_componentcytoplasm
C0005829cellular_componentcytosol
C0005856cellular_componentcytoskeleton
C0005886cellular_componentplasma membrane
C0006914biological_processautophagy
C0006915biological_processapoptotic process
C0006935biological_processchemotaxis
C0006954biological_processinflammatory response
C0008017molecular_functionmicrotubule binding
C0008270molecular_functionzinc ion binding
C0010043biological_processresponse to zinc ion
C0014002biological_processastrocyte development
C0018119biological_processpeptidyl-cysteine S-nitrosylation
C0030307biological_processpositive regulation of cell growth
C0030593biological_processneutrophil chemotaxis
C0031012cellular_componentextracellular matrix
C0032496biological_processresponse to lipopolysaccharide
C0034121biological_processregulation of toll-like receptor signaling pathway
C0034774cellular_componentsecretory granule lumen
C0035425biological_processautocrine signaling
C0035662molecular_functionToll-like receptor 4 binding
C0042742biological_processdefense response to bacterium
C0043542biological_processendothelial cell migration
C0045087biological_processinnate immune response
C0045111cellular_componentintermediate filament cytoskeleton
C0045471biological_processresponse to ethanol
C0046872molecular_functionmetal ion binding
C0048306molecular_functioncalcium-dependent protein binding
C0050544molecular_functionarachidonate binding
C0050729biological_processpositive regulation of inflammatory response
C0050786molecular_functionRAGE receptor binding
C0050832biological_processdefense response to fungus
C0051493biological_processregulation of cytoskeleton organization
C0070062cellular_componentextracellular exosome
C0070488biological_processneutrophil aggregation
C1990660cellular_componentcalprotectin complex
C1990661cellular_componentS100A8 complex
C2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
D0002376biological_processimmune system process
D0002523biological_processleukocyte migration involved in inflammatory response
D0002544biological_processchronic inflammatory response
D0002790biological_processpeptide secretion
D0002793biological_processpositive regulation of peptide secretion
D0005509molecular_functioncalcium ion binding
D0005515molecular_functionprotein binding
D0005576cellular_componentextracellular region
D0005615cellular_componentextracellular space
D0005634cellular_componentnucleus
D0005737cellular_componentcytoplasm
D0005829cellular_componentcytosol
D0005856cellular_componentcytoskeleton
D0005886cellular_componentplasma membrane
D0006914biological_processautophagy
D0006915biological_processapoptotic process
D0006935biological_processchemotaxis
D0006954biological_processinflammatory response
D0008017molecular_functionmicrotubule binding
D0008270molecular_functionzinc ion binding
D0010043biological_processresponse to zinc ion
D0014002biological_processastrocyte development
D0018119biological_processpeptidyl-cysteine S-nitrosylation
D0030307biological_processpositive regulation of cell growth
D0030593biological_processneutrophil chemotaxis
D0031012cellular_componentextracellular matrix
D0032496biological_processresponse to lipopolysaccharide
D0034121biological_processregulation of toll-like receptor signaling pathway
D0034774cellular_componentsecretory granule lumen
D0035425biological_processautocrine signaling
D0035662molecular_functionToll-like receptor 4 binding
D0042742biological_processdefense response to bacterium
D0043542biological_processendothelial cell migration
D0045087biological_processinnate immune response
D0045111cellular_componentintermediate filament cytoskeleton
D0045471biological_processresponse to ethanol
D0046872molecular_functionmetal ion binding
D0048306molecular_functioncalcium-dependent protein binding
D0050544molecular_functionarachidonate binding
D0050729biological_processpositive regulation of inflammatory response
D0050786molecular_functionRAGE receptor binding
D0050832biological_processdefense response to fungus
D0051493biological_processregulation of cytoskeleton organization
D0070062cellular_componentextracellular exosome
D0070488biological_processneutrophil aggregation
D1990660cellular_componentcalprotectin complex
D1990661cellular_componentS100A8 complex
D2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
E0002376biological_processimmune system process
E0002523biological_processleukocyte migration involved in inflammatory response
E0002544biological_processchronic inflammatory response
E0002790biological_processpeptide secretion
E0002793biological_processpositive regulation of peptide secretion
E0005509molecular_functioncalcium ion binding
E0005515molecular_functionprotein binding
E0005576cellular_componentextracellular region
E0005615cellular_componentextracellular space
E0005634cellular_componentnucleus
E0005737cellular_componentcytoplasm
E0005829cellular_componentcytosol
E0005856cellular_componentcytoskeleton
E0005886cellular_componentplasma membrane
E0006914biological_processautophagy
E0006915biological_processapoptotic process
E0006935biological_processchemotaxis
E0006954biological_processinflammatory response
E0008017molecular_functionmicrotubule binding
E0008270molecular_functionzinc ion binding
E0010043biological_processresponse to zinc ion
E0014002biological_processastrocyte development
E0018119biological_processpeptidyl-cysteine S-nitrosylation
E0030307biological_processpositive regulation of cell growth
E0030593biological_processneutrophil chemotaxis
E0031012cellular_componentextracellular matrix
E0032496biological_processresponse to lipopolysaccharide
E0034121biological_processregulation of toll-like receptor signaling pathway
E0034774cellular_componentsecretory granule lumen
E0035425biological_processautocrine signaling
E0035662molecular_functionToll-like receptor 4 binding
E0042742biological_processdefense response to bacterium
E0043542biological_processendothelial cell migration
E0045087biological_processinnate immune response
E0045111cellular_componentintermediate filament cytoskeleton
E0045471biological_processresponse to ethanol
E0046872molecular_functionmetal ion binding
E0048306molecular_functioncalcium-dependent protein binding
E0050544molecular_functionarachidonate binding
E0050729biological_processpositive regulation of inflammatory response
E0050786molecular_functionRAGE receptor binding
E0050832biological_processdefense response to fungus
E0051493biological_processregulation of cytoskeleton organization
E0070062cellular_componentextracellular exosome
E0070488biological_processneutrophil aggregation
E1990660cellular_componentcalprotectin complex
E1990661cellular_componentS100A8 complex
E2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
F0002376biological_processimmune system process
F0002523biological_processleukocyte migration involved in inflammatory response
F0002544biological_processchronic inflammatory response
F0002790biological_processpeptide secretion
F0002793biological_processpositive regulation of peptide secretion
F0005509molecular_functioncalcium ion binding
F0005515molecular_functionprotein binding
F0005576cellular_componentextracellular region
F0005615cellular_componentextracellular space
F0005634cellular_componentnucleus
F0005737cellular_componentcytoplasm
F0005829cellular_componentcytosol
F0005856cellular_componentcytoskeleton
F0005886cellular_componentplasma membrane
F0006914biological_processautophagy
F0006915biological_processapoptotic process
F0006935biological_processchemotaxis
F0006954biological_processinflammatory response
F0008017molecular_functionmicrotubule binding
F0008270molecular_functionzinc ion binding
F0010043biological_processresponse to zinc ion
F0014002biological_processastrocyte development
F0018119biological_processpeptidyl-cysteine S-nitrosylation
F0030307biological_processpositive regulation of cell growth
F0030593biological_processneutrophil chemotaxis
F0031012cellular_componentextracellular matrix
F0032496biological_processresponse to lipopolysaccharide
F0034121biological_processregulation of toll-like receptor signaling pathway
F0034774cellular_componentsecretory granule lumen
F0035425biological_processautocrine signaling
F0035662molecular_functionToll-like receptor 4 binding
F0042742biological_processdefense response to bacterium
F0043542biological_processendothelial cell migration
F0045087biological_processinnate immune response
F0045111cellular_componentintermediate filament cytoskeleton
F0045471biological_processresponse to ethanol
F0046872molecular_functionmetal ion binding
F0048306molecular_functioncalcium-dependent protein binding
F0050544molecular_functionarachidonate binding
F0050729biological_processpositive regulation of inflammatory response
F0050786molecular_functionRAGE receptor binding
F0050832biological_processdefense response to fungus
F0051493biological_processregulation of cytoskeleton organization
F0070062cellular_componentextracellular exosome
F0070488biological_processneutrophil aggregation
F1990660cellular_componentcalprotectin complex
F1990661cellular_componentS100A8 complex
F2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
G0002376biological_processimmune system process
G0002523biological_processleukocyte migration involved in inflammatory response
G0002544biological_processchronic inflammatory response
G0002790biological_processpeptide secretion
G0002793biological_processpositive regulation of peptide secretion
G0005509molecular_functioncalcium ion binding
G0005515molecular_functionprotein binding
G0005576cellular_componentextracellular region
G0005615cellular_componentextracellular space
G0005634cellular_componentnucleus
G0005737cellular_componentcytoplasm
G0005829cellular_componentcytosol
G0005856cellular_componentcytoskeleton
G0005886cellular_componentplasma membrane
G0006914biological_processautophagy
G0006915biological_processapoptotic process
G0006935biological_processchemotaxis
G0006954biological_processinflammatory response
G0008017molecular_functionmicrotubule binding
G0008270molecular_functionzinc ion binding
G0010043biological_processresponse to zinc ion
G0014002biological_processastrocyte development
G0018119biological_processpeptidyl-cysteine S-nitrosylation
G0030307biological_processpositive regulation of cell growth
G0030593biological_processneutrophil chemotaxis
G0031012cellular_componentextracellular matrix
G0032496biological_processresponse to lipopolysaccharide
G0034121biological_processregulation of toll-like receptor signaling pathway
G0034774cellular_componentsecretory granule lumen
G0035425biological_processautocrine signaling
G0035662molecular_functionToll-like receptor 4 binding
G0042742biological_processdefense response to bacterium
G0043542biological_processendothelial cell migration
G0045087biological_processinnate immune response
G0045111cellular_componentintermediate filament cytoskeleton
G0045471biological_processresponse to ethanol
G0046872molecular_functionmetal ion binding
G0048306molecular_functioncalcium-dependent protein binding
G0050544molecular_functionarachidonate binding
G0050729biological_processpositive regulation of inflammatory response
G0050786molecular_functionRAGE receptor binding
G0050832biological_processdefense response to fungus
G0051493biological_processregulation of cytoskeleton organization
G0070062cellular_componentextracellular exosome
G0070488biological_processneutrophil aggregation
G1990660cellular_componentcalprotectin complex
G1990661cellular_componentS100A8 complex
G2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
H0002376biological_processimmune system process
H0002523biological_processleukocyte migration involved in inflammatory response
H0002544biological_processchronic inflammatory response
H0002790biological_processpeptide secretion
H0002793biological_processpositive regulation of peptide secretion
H0005509molecular_functioncalcium ion binding
H0005515molecular_functionprotein binding
H0005576cellular_componentextracellular region
H0005615cellular_componentextracellular space
H0005634cellular_componentnucleus
H0005737cellular_componentcytoplasm
H0005829cellular_componentcytosol
H0005856cellular_componentcytoskeleton
H0005886cellular_componentplasma membrane
H0006914biological_processautophagy
H0006915biological_processapoptotic process
H0006935biological_processchemotaxis
H0006954biological_processinflammatory response
H0008017molecular_functionmicrotubule binding
H0008270molecular_functionzinc ion binding
H0010043biological_processresponse to zinc ion
H0014002biological_processastrocyte development
H0018119biological_processpeptidyl-cysteine S-nitrosylation
H0030307biological_processpositive regulation of cell growth
H0030593biological_processneutrophil chemotaxis
H0031012cellular_componentextracellular matrix
H0032496biological_processresponse to lipopolysaccharide
H0034121biological_processregulation of toll-like receptor signaling pathway
H0034774cellular_componentsecretory granule lumen
H0035425biological_processautocrine signaling
H0035662molecular_functionToll-like receptor 4 binding
H0042742biological_processdefense response to bacterium
H0043542biological_processendothelial cell migration
H0045087biological_processinnate immune response
H0045111cellular_componentintermediate filament cytoskeleton
H0045471biological_processresponse to ethanol
H0046872molecular_functionmetal ion binding
H0048306molecular_functioncalcium-dependent protein binding
H0050544molecular_functionarachidonate binding
H0050729biological_processpositive regulation of inflammatory response
H0050786molecular_functionRAGE receptor binding
H0050832biological_processdefense response to fungus
H0051493biological_processregulation of cytoskeleton organization
H0070062cellular_componentextracellular exosome
H0070488biological_processneutrophil aggregation
H1990660cellular_componentcalprotectin complex
H1990661cellular_componentS100A8 complex
H2001244biological_processpositive regulation of intrinsic apoptotic signaling pathway
Functional Information from PDB Data
site_idAC1
Number of Residues6
Detailsbinding site for residue CA A 101
ChainResidue
ASER20
ALYS23
AASN25
AALA28
ATYR30
AHOH215

site_idAC2
Number of Residues6
Detailsbinding site for residue CA A 102
ChainResidue
AALA65
AGLU70
AHOH210
AASP59
AASN61
AASP63

site_idAC3
Number of Residues4
Detailsbinding site for residue ZN A 103
ChainResidue
AHIS17
AHIS27
DHIS83
DHIS87

site_idAC4
Number of Residues4
Detailsbinding site for residue ZN A 104
ChainResidue
AHIS83
AHIS87
DHIS17
DHIS27

site_idAC5
Number of Residues4
Detailsbinding site for residue ACT A 105
ChainResidue
AASN61
AASN67
AGLU70
CILE76

site_idAC6
Number of Residues6
Detailsbinding site for residue CA B 101
ChainResidue
BSER20
BLYS23
BASN25
BALA28
BTYR30
BHOH209

site_idAC7
Number of Residues6
Detailsbinding site for residue CA B 102
ChainResidue
BASP59
BASN61
BASP63
BALA65
BGLU70
BHOH210

site_idAC8
Number of Residues4
Detailsbinding site for residue ZN B 103
ChainResidue
BHIS83
BHIS87
HHIS17
HHIS27

site_idAC9
Number of Residues6
Detailsbinding site for residue ACT B 104
ChainResidue
BILE60
BASN61
BASN67
BGLU70
BHOH210
GILE76

site_idAD1
Number of Residues4
Detailsbinding site for residue ZN B 105
ChainResidue
BHIS17
HHIS83
HHIS87
HCL103

site_idAD2
Number of Residues6
Detailsbinding site for residue CA C 101
ChainResidue
CSER20
CLYS23
CASN25
CALA28
CTYR30
CHOH215

site_idAD3
Number of Residues6
Detailsbinding site for residue CA C 102
ChainResidue
CASP59
CASN61
CASP63
CALA65
CGLU70
CHOH214

site_idAD4
Number of Residues4
Detailsbinding site for residue ZN C 103
ChainResidue
CHIS17
CHIS27
EHIS83
EHIS87

site_idAD5
Number of Residues4
Detailsbinding site for residue ZN C 104
ChainResidue
CHIS83
CHIS87
EHIS17
EHIS27

site_idAD6
Number of Residues5
Detailsbinding site for residue ACT C 105
ChainResidue
AILE76
CASN61
CASN67
CGLU70
CHOH214

site_idAD7
Number of Residues3
Detailsbinding site for residue ACT C 106
ChainResidue
CTYR30
DASN61
DTHR62

site_idAD8
Number of Residues5
Detailsbinding site for residue CA D 101
ChainResidue
DSER20
DLYS23
DASN25
DALA28
DHOH215

site_idAD9
Number of Residues6
Detailsbinding site for residue CA D 102
ChainResidue
DASP59
DASN61
DASP63
DALA65
DGLU70
DHOH216

site_idAE1
Number of Residues3
Detailsbinding site for residue ACT D 103
ChainResidue
APRO43
DTHR3
DGLU6

site_idAE2
Number of Residues5
Detailsbinding site for residue CA E 101
ChainResidue
ESER20
ELYS23
EASN25
EALA28
EHOH205

site_idAE3
Number of Residues6
Detailsbinding site for residue CA E 102
ChainResidue
EASP63
EALA65
EGLU70
EHOH209
EASP59
EASN61

site_idAE4
Number of Residues6
Detailsbinding site for residue CA F 101
ChainResidue
FSER20
FLYS23
FASN25
FALA28
FTYR30
FHOH206

site_idAE5
Number of Residues6
Detailsbinding site for residue CA F 102
ChainResidue
FASP59
FASN61
FASP63
FALA65
FGLU70
FHOH202

site_idAE6
Number of Residues4
Detailsbinding site for residue ZN F 103
ChainResidue
FHIS17
FHIS27
GHIS83
GHIS87

site_idAE7
Number of Residues4
Detailsbinding site for residue ZN F 104
ChainResidue
FHIS83
FHIS87
FCL105
GHIS17

site_idAE8
Number of Residues4
Detailsbinding site for residue CL F 105
ChainResidue
FHIS83
FHIS87
FZN104
GHIS27

site_idAE9
Number of Residues6
Detailsbinding site for residue CA G 101
ChainResidue
GSER20
GLYS23
GASN25
GALA28
GTYR30
GHOH210

site_idAF1
Number of Residues6
Detailsbinding site for residue CA G 102
ChainResidue
GASP59
GASN61
GASP63
GALA65
GGLU70
GHOH207

site_idAF2
Number of Residues5
Detailsbinding site for residue ACT G 103
ChainResidue
BILE76
GILE60
GASN61
GASN67
GGLU70

site_idAF3
Number of Residues5
Detailsbinding site for residue CA H 101
ChainResidue
HSER20
HLYS23
HASN25
HALA28
HHOH310

site_idAF4
Number of Residues6
Detailsbinding site for residue CA H 102
ChainResidue
HASP59
HASN61
HASP63
HALA65
HGLU70
HHOH308

site_idAF5
Number of Residues5
Detailsbinding site for residue CL H 103
ChainResidue
BHIS17
BHIS27
BZN105
HHIS83
HHIS87

Functional Information from PROSITE/UniProt
site_idPS00018
Number of Residues13
DetailsEF_HAND_1 EF-hand calcium-binding domain. DINTDGAVNfqEF
ChainResidueDetails
AASP59-PHE71

site_idPS00303
Number of Residues22
DetailsS100_CABP S-100/ICaBP type calcium binding protein signature. WFkeLDintDgavNFqEFliLV
ChainResidueDetails
ATRP54-VAL75

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues280
DetailsDomain: {"description":"EF-hand 1","evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI2
Number of Residues280
DetailsDomain: {"description":"EF-hand 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI3
Number of Residues40
DetailsBinding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}
ChainResidueDetails

site_idSWS_FT_FI4
Number of Residues32
DetailsBinding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

site_idSWS_FT_FI5
Number of Residues8
DetailsModified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"18832721","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails

243083

PDB entries from 2025-10-15

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