1ODB

THE CRYSTAL STRUCTURE OF HUMAN S100A12 - COPPER COMPLEX

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002376	biological_process	immune system process
A	0002548	biological_process	monocyte chemotaxis
A	0005507	molecular_function	copper ion binding
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
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	0006805	biological_process	xenobiotic metabolic process
A	0006954	biological_process	inflammatory response
A	0008270	molecular_function	zinc ion binding
A	0016020	cellular_component	membrane
A	0030593	biological_process	neutrophil chemotaxis
A	0031640	biological_process	killing of cells of another organism
A	0034774	cellular_component	secretory granule lumen
A	0042742	biological_process	defense response to bacterium
A	0042802	molecular_function	identical protein binding
A	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
A	0043406	biological_process	positive regulation of MAP kinase activity
A	0043542	biological_process	endothelial cell migration
A	0045087	biological_process	innate immune response
A	0045576	biological_process	mast cell activation
A	0046872	molecular_function	metal ion binding
A	0048306	molecular_function	calcium-dependent protein 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	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
A	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide
B	0002376	biological_process	immune system process
B	0002548	biological_process	monocyte chemotaxis
B	0005507	molecular_function	copper ion binding
B	0005509	molecular_function	calcium ion binding
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
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	0006805	biological_process	xenobiotic metabolic process
B	0006954	biological_process	inflammatory response
B	0008270	molecular_function	zinc ion binding
B	0016020	cellular_component	membrane
B	0030593	biological_process	neutrophil chemotaxis
B	0031640	biological_process	killing of cells of another organism
B	0034774	cellular_component	secretory granule lumen
B	0042742	biological_process	defense response to bacterium
B	0042802	molecular_function	identical protein binding
B	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
B	0043406	biological_process	positive regulation of MAP kinase activity
B	0043542	biological_process	endothelial cell migration
B	0045087	biological_process	innate immune response
B	0045576	biological_process	mast cell activation
B	0046872	molecular_function	metal ion binding
B	0048306	molecular_function	calcium-dependent protein 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	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
B	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide
C	0002376	biological_process	immune system process
C	0002548	biological_process	monocyte chemotaxis
C	0005507	molecular_function	copper ion binding
C	0005509	molecular_function	calcium ion binding
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
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	0006805	biological_process	xenobiotic metabolic process
C	0006954	biological_process	inflammatory response
C	0008270	molecular_function	zinc ion binding
C	0016020	cellular_component	membrane
C	0030593	biological_process	neutrophil chemotaxis
C	0031640	biological_process	killing of cells of another organism
C	0034774	cellular_component	secretory granule lumen
C	0042742	biological_process	defense response to bacterium
C	0042802	molecular_function	identical protein binding
C	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
C	0043406	biological_process	positive regulation of MAP kinase activity
C	0043542	biological_process	endothelial cell migration
C	0045087	biological_process	innate immune response
C	0045576	biological_process	mast cell activation
C	0046872	molecular_function	metal ion binding
C	0048306	molecular_function	calcium-dependent protein 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	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
C	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide
D	0002376	biological_process	immune system process
D	0002548	biological_process	monocyte chemotaxis
D	0005507	molecular_function	copper ion binding
D	0005509	molecular_function	calcium ion binding
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
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	0006805	biological_process	xenobiotic metabolic process
D	0006954	biological_process	inflammatory response
D	0008270	molecular_function	zinc ion binding
D	0016020	cellular_component	membrane
D	0030593	biological_process	neutrophil chemotaxis
D	0031640	biological_process	killing of cells of another organism
D	0034774	cellular_component	secretory granule lumen
D	0042742	biological_process	defense response to bacterium
D	0042802	molecular_function	identical protein binding
D	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
D	0043406	biological_process	positive regulation of MAP kinase activity
D	0043542	biological_process	endothelial cell migration
D	0045087	biological_process	innate immune response
D	0045576	biological_process	mast cell activation
D	0046872	molecular_function	metal ion binding
D	0048306	molecular_function	calcium-dependent protein 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	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
D	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide
E	0002376	biological_process	immune system process
E	0002548	biological_process	monocyte chemotaxis
E	0005507	molecular_function	copper ion binding
E	0005509	molecular_function	calcium ion binding
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005634	cellular_component	nucleus
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0005856	cellular_component	cytoskeleton
E	0005886	cellular_component	plasma membrane
E	0006805	biological_process	xenobiotic metabolic process
E	0006954	biological_process	inflammatory response
E	0008270	molecular_function	zinc ion binding
E	0016020	cellular_component	membrane
E	0030593	biological_process	neutrophil chemotaxis
E	0031640	biological_process	killing of cells of another organism
E	0034774	cellular_component	secretory granule lumen
E	0042742	biological_process	defense response to bacterium
E	0042802	molecular_function	identical protein binding
E	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
E	0043406	biological_process	positive regulation of MAP kinase activity
E	0043542	biological_process	endothelial cell migration
E	0045087	biological_process	innate immune response
E	0045576	biological_process	mast cell activation
E	0046872	molecular_function	metal ion binding
E	0048306	molecular_function	calcium-dependent protein binding
E	0050729	biological_process	positive regulation of inflammatory response
E	0050786	molecular_function	RAGE receptor binding
E	0050832	biological_process	defense response to fungus
E	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
E	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide
F	0002376	biological_process	immune system process
F	0002548	biological_process	monocyte chemotaxis
F	0005507	molecular_function	copper ion binding
F	0005509	molecular_function	calcium ion binding
F	0005515	molecular_function	protein binding
F	0005576	cellular_component	extracellular region
F	0005634	cellular_component	nucleus
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0005856	cellular_component	cytoskeleton
F	0005886	cellular_component	plasma membrane
F	0006805	biological_process	xenobiotic metabolic process
F	0006954	biological_process	inflammatory response
F	0008270	molecular_function	zinc ion binding
F	0016020	cellular_component	membrane
F	0030593	biological_process	neutrophil chemotaxis
F	0031640	biological_process	killing of cells of another organism
F	0034774	cellular_component	secretory granule lumen
F	0042742	biological_process	defense response to bacterium
F	0042802	molecular_function	identical protein binding
F	0043123	biological_process	positive regulation of canonical NF-kappaB signal transduction
F	0043406	biological_process	positive regulation of MAP kinase activity
F	0043542	biological_process	endothelial cell migration
F	0045087	biological_process	innate immune response
F	0045576	biological_process	mast cell activation
F	0046872	molecular_function	metal ion binding
F	0048306	molecular_function	calcium-dependent protein binding
F	0050729	biological_process	positive regulation of inflammatory response
F	0050786	molecular_function	RAGE receptor binding
F	0050832	biological_process	defense response to fungus
F	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
F	0061844	biological_process	antimicrobial humoral immune response mediated by antimicrobial peptide

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CU A 1091

Chain	Residue
A	HIS15
B	HIS85
B	HIS89
E	GLU55
E	GLN58

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1092

Chain	Residue
A	GLU31
A	HOH2059
A	SER18
A	LYS21
A	HIS23
A	THR26

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 1093

Chain	Residue
A	ASP61
A	ASN63
A	ASP65
A	GLN67
A	GLU72
A	HOH2061

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU B 1091

Chain	Residue
A	HIS85
A	HIS89
B	HIS15
B	ASP25

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 1092

Chain	Residue
B	SER18
B	LYS21
B	HIS23
B	THR26
B	GLU31
B	HOH2026

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 1093

Chain	Residue
B	ASP61
B	ASN63
B	ASP65
B	GLN67
B	GLU72
B	HOH2059

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU C 1091

Chain	Residue
C	HIS15
C	ASP25
D	HIS85
D	HIS89

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1092

Chain	Residue
C	SER18
C	LYS21
C	HIS23
C	THR26
C	GLU31
C	HOH2021

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 1093

Chain	Residue
C	ASP61
C	ASN63
C	ASP65
C	GLN67
C	GLU72
C	HOH2044

---

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU D 1091

Chain	Residue
C	HIS85
C	HIS89
D	HIS15
D	ASP25

---

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 1092

Chain	Residue
D	SER18
D	LYS21
D	HIS23
D	THR26
D	GLU31
D	HOH2049

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 1093

Chain	Residue
D	ASP61
D	ASN63
D	ASP65
D	GLN67
D	GLU72
D	HOH2050

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU E 1091

Chain	Residue
E	HIS15
E	ASP25
F	HIS85
F	HIS89

---

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 1092

Chain	Residue
E	SER18
E	LYS21
E	HIS23
E	THR26
E	GLU31
E	HOH2055

---

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA E 1093

Chain	Residue
E	ASP61
E	ASN63
E	ASP65
E	GLN67
E	GLU72
E	HOH2059

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU F 1091

Chain	Residue
E	HIS85
E	HIS89
F	HIS15
F	ASP25

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA F 1092

Chain	Residue
F	SER18
F	LYS21
F	HIS23
F	THR26
F	GLU31

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA F 1093

Chain	Residue
F	ASP61
F	ASN63
F	ASP65
F	GLN67
F	GLU72
F	HOH2021

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE56-VAL77

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	210
Details	Domain: {"description":"EF-hand 1","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	210
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	90
Details	Region: {"description":"Hinge domain"}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19501594","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WC8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WCB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	60
Details	Binding site: {"evidences":[{"source":"PubMed","id":"11134923","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12777802","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1E8A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ODB","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---