5HLO

Crystal structure of calcium and zinc-bound human S100A8 in space group C2221

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002376	biological_process	immune system process
A	0002523	biological_process	leukocyte migration involved in inflammatory response
A	0002544	biological_process	chronic inflammatory response
A	0002790	biological_process	peptide secretion
A	0002793	biological_process	positive regulation of peptide secretion
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005856	cellular_component	cytoskeleton
A	0005886	cellular_component	plasma membrane
A	0006914	biological_process	autophagy
A	0006915	biological_process	apoptotic process
A	0006935	biological_process	chemotaxis
A	0006954	biological_process	inflammatory response
A	0008017	molecular_function	microtubule binding
A	0008270	molecular_function	zinc ion binding
A	0010043	biological_process	response to zinc ion
A	0014002	biological_process	astrocyte development
A	0016020	cellular_component	membrane
A	0018119	biological_process	peptidyl-cysteine S-nitrosylation
A	0030307	biological_process	positive regulation of cell growth
A	0030593	biological_process	neutrophil chemotaxis
A	0031012	cellular_component	extracellular matrix
A	0032496	biological_process	response to lipopolysaccharide
A	0034121	biological_process	regulation of toll-like receptor signaling pathway
A	0034774	cellular_component	secretory granule lumen
A	0035425	biological_process	autocrine signaling
A	0035662	molecular_function	Toll-like receptor 4 binding
A	0042742	biological_process	defense response to bacterium
A	0043542	biological_process	endothelial cell migration
A	0045087	biological_process	innate immune response
A	0045111	cellular_component	intermediate filament cytoskeleton
A	0045471	biological_process	response to ethanol
A	0046872	molecular_function	metal ion binding
A	0048306	molecular_function	calcium-dependent protein binding
A	0050544	molecular_function	arachidonate binding
A	0050729	biological_process	positive regulation of inflammatory response
A	0050786	molecular_function	RAGE receptor binding
A	0050832	biological_process	defense response to fungus
A	0051493	biological_process	regulation of cytoskeleton organization
A	0070062	cellular_component	extracellular exosome
A	0070488	biological_process	neutrophil aggregation
A	1990660	cellular_component	calprotectin complex
A	1990661	cellular_component	S100A8 complex
A	2001244	biological_process	positive regulation of intrinsic apoptotic signaling pathway
B	0002376	biological_process	immune system process
B	0002523	biological_process	leukocyte migration involved in inflammatory response
B	0002544	biological_process	chronic inflammatory response
B	0002790	biological_process	peptide secretion
B	0002793	biological_process	positive regulation of peptide secretion
B	0005509	molecular_function	calcium ion binding
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005856	cellular_component	cytoskeleton
B	0005886	cellular_component	plasma membrane
B	0006914	biological_process	autophagy
B	0006915	biological_process	apoptotic process
B	0006935	biological_process	chemotaxis
B	0006954	biological_process	inflammatory response
B	0008017	molecular_function	microtubule binding
B	0008270	molecular_function	zinc ion binding
B	0010043	biological_process	response to zinc ion
B	0014002	biological_process	astrocyte development
B	0016020	cellular_component	membrane
B	0018119	biological_process	peptidyl-cysteine S-nitrosylation
B	0030307	biological_process	positive regulation of cell growth
B	0030593	biological_process	neutrophil chemotaxis
B	0031012	cellular_component	extracellular matrix
B	0032496	biological_process	response to lipopolysaccharide
B	0034121	biological_process	regulation of toll-like receptor signaling pathway
B	0034774	cellular_component	secretory granule lumen
B	0035425	biological_process	autocrine signaling
B	0035662	molecular_function	Toll-like receptor 4 binding
B	0042742	biological_process	defense response to bacterium
B	0043542	biological_process	endothelial cell migration
B	0045087	biological_process	innate immune response
B	0045111	cellular_component	intermediate filament cytoskeleton
B	0045471	biological_process	response to ethanol
B	0046872	molecular_function	metal ion binding
B	0048306	molecular_function	calcium-dependent protein binding
B	0050544	molecular_function	arachidonate binding
B	0050729	biological_process	positive regulation of inflammatory response
B	0050786	molecular_function	RAGE receptor binding
B	0050832	biological_process	defense response to fungus
B	0051493	biological_process	regulation of cytoskeleton organization
B	0070062	cellular_component	extracellular exosome
B	0070488	biological_process	neutrophil aggregation
B	1990660	cellular_component	calprotectin complex
B	1990661	cellular_component	S100A8 complex
B	2001244	biological_process	positive regulation of intrinsic apoptotic signaling pathway
C	0002376	biological_process	immune system process
C	0002523	biological_process	leukocyte migration involved in inflammatory response
C	0002544	biological_process	chronic inflammatory response
C	0002790	biological_process	peptide secretion
C	0002793	biological_process	positive regulation of peptide secretion
C	0005509	molecular_function	calcium ion binding
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005856	cellular_component	cytoskeleton
C	0005886	cellular_component	plasma membrane
C	0006914	biological_process	autophagy
C	0006915	biological_process	apoptotic process
C	0006935	biological_process	chemotaxis
C	0006954	biological_process	inflammatory response
C	0008017	molecular_function	microtubule binding
C	0008270	molecular_function	zinc ion binding
C	0010043	biological_process	response to zinc ion
C	0014002	biological_process	astrocyte development
C	0016020	cellular_component	membrane
C	0018119	biological_process	peptidyl-cysteine S-nitrosylation
C	0030307	biological_process	positive regulation of cell growth
C	0030593	biological_process	neutrophil chemotaxis
C	0031012	cellular_component	extracellular matrix
C	0032496	biological_process	response to lipopolysaccharide
C	0034121	biological_process	regulation of toll-like receptor signaling pathway
C	0034774	cellular_component	secretory granule lumen
C	0035425	biological_process	autocrine signaling
C	0035662	molecular_function	Toll-like receptor 4 binding
C	0042742	biological_process	defense response to bacterium
C	0043542	biological_process	endothelial cell migration
C	0045087	biological_process	innate immune response
C	0045111	cellular_component	intermediate filament cytoskeleton
C	0045471	biological_process	response to ethanol
C	0046872	molecular_function	metal ion binding
C	0048306	molecular_function	calcium-dependent protein binding
C	0050544	molecular_function	arachidonate binding
C	0050729	biological_process	positive regulation of inflammatory response
C	0050786	molecular_function	RAGE receptor binding
C	0050832	biological_process	defense response to fungus
C	0051493	biological_process	regulation of cytoskeleton organization
C	0070062	cellular_component	extracellular exosome
C	0070488	biological_process	neutrophil aggregation
C	1990660	cellular_component	calprotectin complex
C	1990661	cellular_component	S100A8 complex
C	2001244	biological_process	positive regulation of intrinsic apoptotic signaling pathway
D	0002376	biological_process	immune system process
D	0002523	biological_process	leukocyte migration involved in inflammatory response
D	0002544	biological_process	chronic inflammatory response
D	0002790	biological_process	peptide secretion
D	0002793	biological_process	positive regulation of peptide secretion
D	0005509	molecular_function	calcium ion binding
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005856	cellular_component	cytoskeleton
D	0005886	cellular_component	plasma membrane
D	0006914	biological_process	autophagy
D	0006915	biological_process	apoptotic process
D	0006935	biological_process	chemotaxis
D	0006954	biological_process	inflammatory response
D	0008017	molecular_function	microtubule binding
D	0008270	molecular_function	zinc ion binding
D	0010043	biological_process	response to zinc ion
D	0014002	biological_process	astrocyte development
D	0016020	cellular_component	membrane
D	0018119	biological_process	peptidyl-cysteine S-nitrosylation
D	0030307	biological_process	positive regulation of cell growth
D	0030593	biological_process	neutrophil chemotaxis
D	0031012	cellular_component	extracellular matrix
D	0032496	biological_process	response to lipopolysaccharide
D	0034121	biological_process	regulation of toll-like receptor signaling pathway
D	0034774	cellular_component	secretory granule lumen
D	0035425	biological_process	autocrine signaling
D	0035662	molecular_function	Toll-like receptor 4 binding
D	0042742	biological_process	defense response to bacterium
D	0043542	biological_process	endothelial cell migration
D	0045087	biological_process	innate immune response
D	0045111	cellular_component	intermediate filament cytoskeleton
D	0045471	biological_process	response to ethanol
D	0046872	molecular_function	metal ion binding
D	0048306	molecular_function	calcium-dependent protein binding
D	0050544	molecular_function	arachidonate binding
D	0050729	biological_process	positive regulation of inflammatory response
D	0050786	molecular_function	RAGE receptor binding
D	0050832	biological_process	defense response to fungus
D	0051493	biological_process	regulation of cytoskeleton organization
D	0070062	cellular_component	extracellular exosome
D	0070488	biological_process	neutrophil aggregation
D	1990660	cellular_component	calprotectin complex
D	1990661	cellular_component	S100A8 complex
D	2001244	biological_process	positive regulation of intrinsic apoptotic signaling pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue CA A 101

Chain	Residue
A	ASP59
A	ASN61
A	ASP63
A	ALA65
A	GLU70
A	HOH202

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CA A 102

Chain	Residue
A	ALA28
A	TYR30
A	HOH203
A	SER20
A	LYS23
A	ASN25

---

site_id	AC3
Number of Residues	4
Details	binding site for residue ZN A 103

Chain	Residue
A	HIS17
A	CAC105
C	HIS83
C	CL104

---

site_id	AC4
Number of Residues	4
Details	binding site for residue ZN A 104

Chain	Residue
A	HIS27
A	CAC105
A	CL108
C	HIS91

---

site_id	AC5
Number of Residues	10
Details	binding site for residue CAC A 105

Chain	Residue
A	HIS17
A	HIS27
A	ZN103
A	ZN104
A	CL108
C	HIS83
C	HIS87
C	SER90
C	HIS91
C	CL104

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN A 106

Chain	Residue
A	HIS83
A	HIS87
C	HIS17
C	HIS27

---

site_id	AC7
Number of Residues	5
Details	binding site for residue CL A 107

Chain	Residue
A	HIS87
C	HIS27
D	PHE26
D	HOH420
D	HOH435

---

site_id	AC8
Number of Residues	3
Details	binding site for residue CL A 108

Chain	Residue
A	ZN104
A	CAC105
A	HOH252

---

site_id	AC9
Number of Residues	2
Details	binding site for residue ACT A 109

Chain	Residue
A	TYR30
C	THR62

---

site_id	AD1
Number of Residues	6
Details	binding site for residue CA B 101

Chain	Residue
B	SER20
B	LYS23
B	ASN25
B	ALA28
B	TYR30
B	HOH209

---

site_id	AD2
Number of Residues	6
Details	binding site for residue CA B 102

Chain	Residue
B	ASP59
B	ASN61
B	ASP63
B	ALA65
B	GLU70
B	HOH207

---

site_id	AD3
Number of Residues	4
Details	binding site for residue ZN B 103

Chain	Residue
B	HIS17
B	CAC110
D	HIS83
D	CL104

---

site_id	AD4
Number of Residues	4
Details	binding site for residue ZN B 104

Chain	Residue
B	HIS27
B	CL107
B	CAC110
D	HIS91

---

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN B 105

Chain	Residue
B	HIS83
B	HIS87
D	HIS17
D	HIS27

---

site_id	AD6
Number of Residues	4
Details	binding site for residue CL B 106

Chain	Residue
B	HIS87
C	PHE26
C	HOH223
D	HIS27

---

site_id	AD7
Number of Residues	4
Details	binding site for residue CL B 107

Chain	Residue
B	HIS27
B	GLU93
B	ZN104
B	CAC110

---

site_id	AD8
Number of Residues	4
Details	binding site for residue ACT B 108

Chain	Residue
B	LYS7
B	SER11
B	HOH201
D	LYS7

---

site_id	AD9
Number of Residues	3
Details	binding site for residue ACT B 109

Chain	Residue
B	ILE46
B	ALA81
B	HOH230

---

site_id	AE1
Number of Residues	11
Details	binding site for residue CAC B 110

Chain	Residue
B	HIS17
B	PHE26
B	HIS27
B	ZN103
B	ZN104
B	CL107
D	HIS83
D	HIS87
D	SER90
D	HIS91
D	CL104

---

site_id	AE2
Number of Residues	6
Details	binding site for residue CA C 101

Chain	Residue
C	HOH210
C	SER20
C	LYS23
C	ASN25
C	ALA28
C	TYR30

---

site_id	AE3
Number of Residues	6
Details	binding site for residue CA C 102

Chain	Residue
C	ASP59
C	ASN61
C	ASP63
C	ALA65
C	GLU70
C	HOH205

---

site_id	AE4
Number of Residues	4
Details	binding site for residue ZN C 103

Chain	Residue
C	GLU57
C	HIS87
C	GLU93
C	CL105

---

site_id	AE5
Number of Residues	6
Details	binding site for residue CL C 104

Chain	Residue
A	TYR16
A	HIS17
A	HIS27
A	ZN103
A	CAC105
C	HIS83

---

site_id	AE6
Number of Residues	3
Details	binding site for residue CL C 105

Chain	Residue
C	LYS49
C	GLU57
C	ZN103

---

site_id	AE7
Number of Residues	5
Details	binding site for residue CA D 101

Chain	Residue
D	SER20
D	LYS23
D	ASN25
D	ALA28
D	HOH406

---

site_id	AE8
Number of Residues	6
Details	binding site for residue CA D 102

Chain	Residue
D	ASP59
D	ASN61
D	ASP63
D	ALA65
D	GLU70
D	HOH405

---

site_id	AE9
Number of Residues	4
Details	binding site for residue ZN D 103

Chain	Residue
D	GLU57
D	HIS87
D	GLU93
D	CL105

---

site_id	AF1
Number of Residues	6
Details	binding site for residue CL D 104

Chain	Residue
B	TYR16
B	HIS17
B	HIS27
B	ZN103
B	CAC110
D	HIS83

---

site_id	AF2
Number of Residues	3
Details	binding site for residue CL D 105

Chain	Residue
D	GLU57
D	GLU93
D	ZN103

---

site_id	AF3
Number of Residues	3
Details	binding site for residue ACT D 106

Chain	Residue
B	TYR30
D	ASN61
D	THR62

---

Functional Information from PROSITE/UniProt

site_id	PS00018
Number of Residues	13
Details	EF_HAND_1 EF-hand calcium-binding domain. DINTDGAVNfqEF

Chain	Residue	Details
A	ASP59-PHE71

---

site_id	PS00303
Number of Residues	22
Details	S100_CABP S-100/ICaBP type calcium binding protein signature. WFkeLDintDgavNFqEFliLV

Chain	Residue	Details
A	TRP54-VAL75

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	140
Details	Domain: {"description":"EF-hand 1","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	140
Details	Domain: {"description":"EF-hand 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	20
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"PubMed","id":"18832721","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---