2X2C

acetyl-CypA:cyclosporine complex

Functional Information from GO Data

Chain	GOid	namespace	contents
K	0000413	biological_process	protein peptidyl-prolyl isomerization
K	0001933	biological_process	negative regulation of protein phosphorylation
K	0001934	biological_process	positive regulation of protein phosphorylation
K	0003723	molecular_function	RNA binding
K	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
K	0005178	molecular_function	integrin binding
K	0005515	molecular_function	protein binding
K	0005576	cellular_component	extracellular region
K	0005615	cellular_component	extracellular space
K	0005634	cellular_component	nucleus
K	0005737	cellular_component	cytoplasm
K	0005829	cellular_component	cytosol
K	0005925	cellular_component	focal adhesion
K	0006457	biological_process	protein folding
K	0006469	biological_process	negative regulation of protein kinase activity
K	0006915	biological_process	apoptotic process
K	0016018	molecular_function	cyclosporin A binding
K	0016020	cellular_component	membrane
K	0019076	biological_process	viral release from host cell
K	0030168	biological_process	platelet activation
K	0030182	biological_process	neuron differentiation
K	0030593	biological_process	neutrophil chemotaxis
K	0030595	biological_process	leukocyte chemotaxis
K	0031982	cellular_component	vesicle
K	0032148	biological_process	activation of protein kinase B activity
K	0032873	biological_process	negative regulation of stress-activated MAPK cascade
K	0032991	cellular_component	protein-containing complex
K	0034389	biological_process	lipid droplet organization
K	0034599	biological_process	cellular response to oxidative stress
K	0034774	cellular_component	secretory granule lumen
K	0035307	biological_process	positive regulation of protein dephosphorylation
K	0042118	biological_process	endothelial cell activation
K	0043410	biological_process	positive regulation of MAPK cascade
K	0045069	biological_process	regulation of viral genome replication
K	0045070	biological_process	positive regulation of viral genome replication
K	0046790	molecular_function	virion binding
K	0050714	biological_process	positive regulation of protein secretion
K	0051082	molecular_function	unfolded protein binding
K	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
K	0060352	biological_process	cell adhesion molecule production
K	0061944	biological_process	negative regulation of protein K48-linked ubiquitination
K	0070062	cellular_component	extracellular exosome
K	0070527	biological_process	platelet aggregation
K	1902176	biological_process	negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
K	1903901	biological_process	negative regulation of viral life cycle
K	1904399	molecular_function	heparan sulfate binding
K	1904813	cellular_component	ficolin-1-rich granule lumen
K	2001233	biological_process	regulation of apoptotic signaling pathway
M	0000413	biological_process	protein peptidyl-prolyl isomerization
M	0001933	biological_process	negative regulation of protein phosphorylation
M	0001934	biological_process	positive regulation of protein phosphorylation
M	0003723	molecular_function	RNA binding
M	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
M	0005178	molecular_function	integrin binding
M	0005515	molecular_function	protein binding
M	0005576	cellular_component	extracellular region
M	0005615	cellular_component	extracellular space
M	0005634	cellular_component	nucleus
M	0005737	cellular_component	cytoplasm
M	0005829	cellular_component	cytosol
M	0005925	cellular_component	focal adhesion
M	0006457	biological_process	protein folding
M	0006469	biological_process	negative regulation of protein kinase activity
M	0006915	biological_process	apoptotic process
M	0016018	molecular_function	cyclosporin A binding
M	0016020	cellular_component	membrane
M	0019076	biological_process	viral release from host cell
M	0030168	biological_process	platelet activation
M	0030182	biological_process	neuron differentiation
M	0030593	biological_process	neutrophil chemotaxis
M	0030595	biological_process	leukocyte chemotaxis
M	0031982	cellular_component	vesicle
M	0032148	biological_process	activation of protein kinase B activity
M	0032873	biological_process	negative regulation of stress-activated MAPK cascade
M	0032991	cellular_component	protein-containing complex
M	0034389	biological_process	lipid droplet organization
M	0034599	biological_process	cellular response to oxidative stress
M	0034774	cellular_component	secretory granule lumen
M	0035307	biological_process	positive regulation of protein dephosphorylation
M	0042118	biological_process	endothelial cell activation
M	0043410	biological_process	positive regulation of MAPK cascade
M	0045069	biological_process	regulation of viral genome replication
M	0045070	biological_process	positive regulation of viral genome replication
M	0046790	molecular_function	virion binding
M	0050714	biological_process	positive regulation of protein secretion
M	0051082	molecular_function	unfolded protein binding
M	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
M	0060352	biological_process	cell adhesion molecule production
M	0061944	biological_process	negative regulation of protein K48-linked ubiquitination
M	0070062	cellular_component	extracellular exosome
M	0070527	biological_process	platelet aggregation
M	1902176	biological_process	negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
M	1903901	biological_process	negative regulation of viral life cycle
M	1904399	molecular_function	heparan sulfate binding
M	1904813	cellular_component	ficolin-1-rich granule lumen
M	2001233	biological_process	regulation of apoptotic signaling pathway
O	0000413	biological_process	protein peptidyl-prolyl isomerization
O	0001933	biological_process	negative regulation of protein phosphorylation
O	0001934	biological_process	positive regulation of protein phosphorylation
O	0003723	molecular_function	RNA binding
O	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
O	0005178	molecular_function	integrin binding
O	0005515	molecular_function	protein binding
O	0005576	cellular_component	extracellular region
O	0005615	cellular_component	extracellular space
O	0005634	cellular_component	nucleus
O	0005737	cellular_component	cytoplasm
O	0005829	cellular_component	cytosol
O	0005925	cellular_component	focal adhesion
O	0006457	biological_process	protein folding
O	0006469	biological_process	negative regulation of protein kinase activity
O	0006915	biological_process	apoptotic process
O	0016018	molecular_function	cyclosporin A binding
O	0016020	cellular_component	membrane
O	0019076	biological_process	viral release from host cell
O	0030168	biological_process	platelet activation
O	0030182	biological_process	neuron differentiation
O	0030593	biological_process	neutrophil chemotaxis
O	0030595	biological_process	leukocyte chemotaxis
O	0031982	cellular_component	vesicle
O	0032148	biological_process	activation of protein kinase B activity
O	0032873	biological_process	negative regulation of stress-activated MAPK cascade
O	0032991	cellular_component	protein-containing complex
O	0034389	biological_process	lipid droplet organization
O	0034599	biological_process	cellular response to oxidative stress
O	0034774	cellular_component	secretory granule lumen
O	0035307	biological_process	positive regulation of protein dephosphorylation
O	0042118	biological_process	endothelial cell activation
O	0043410	biological_process	positive regulation of MAPK cascade
O	0045069	biological_process	regulation of viral genome replication
O	0045070	biological_process	positive regulation of viral genome replication
O	0046790	molecular_function	virion binding
O	0050714	biological_process	positive regulation of protein secretion
O	0051082	molecular_function	unfolded protein binding
O	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
O	0060352	biological_process	cell adhesion molecule production
O	0061944	biological_process	negative regulation of protein K48-linked ubiquitination
O	0070062	cellular_component	extracellular exosome
O	0070527	biological_process	platelet aggregation
O	1902176	biological_process	negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
O	1903901	biological_process	negative regulation of viral life cycle
O	1904399	molecular_function	heparan sulfate binding
O	1904813	cellular_component	ficolin-1-rich granule lumen
O	2001233	biological_process	regulation of apoptotic signaling pathway
Q	0000413	biological_process	protein peptidyl-prolyl isomerization
Q	0001933	biological_process	negative regulation of protein phosphorylation
Q	0001934	biological_process	positive regulation of protein phosphorylation
Q	0003723	molecular_function	RNA binding
Q	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
Q	0005178	molecular_function	integrin binding
Q	0005515	molecular_function	protein binding
Q	0005576	cellular_component	extracellular region
Q	0005615	cellular_component	extracellular space
Q	0005634	cellular_component	nucleus
Q	0005737	cellular_component	cytoplasm
Q	0005829	cellular_component	cytosol
Q	0005925	cellular_component	focal adhesion
Q	0006457	biological_process	protein folding
Q	0006469	biological_process	negative regulation of protein kinase activity
Q	0006915	biological_process	apoptotic process
Q	0016018	molecular_function	cyclosporin A binding
Q	0016020	cellular_component	membrane
Q	0019076	biological_process	viral release from host cell
Q	0030168	biological_process	platelet activation
Q	0030182	biological_process	neuron differentiation
Q	0030593	biological_process	neutrophil chemotaxis
Q	0030595	biological_process	leukocyte chemotaxis
Q	0031982	cellular_component	vesicle
Q	0032148	biological_process	activation of protein kinase B activity
Q	0032873	biological_process	negative regulation of stress-activated MAPK cascade
Q	0032991	cellular_component	protein-containing complex
Q	0034389	biological_process	lipid droplet organization
Q	0034599	biological_process	cellular response to oxidative stress
Q	0034774	cellular_component	secretory granule lumen
Q	0035307	biological_process	positive regulation of protein dephosphorylation
Q	0042118	biological_process	endothelial cell activation
Q	0043410	biological_process	positive regulation of MAPK cascade
Q	0045069	biological_process	regulation of viral genome replication
Q	0045070	biological_process	positive regulation of viral genome replication
Q	0046790	molecular_function	virion binding
Q	0050714	biological_process	positive regulation of protein secretion
Q	0051082	molecular_function	unfolded protein binding
Q	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
Q	0060352	biological_process	cell adhesion molecule production
Q	0061944	biological_process	negative regulation of protein K48-linked ubiquitination
Q	0070062	cellular_component	extracellular exosome
Q	0070527	biological_process	platelet aggregation
Q	1902176	biological_process	negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
Q	1903901	biological_process	negative regulation of viral life cycle
Q	1904399	molecular_function	heparan sulfate binding
Q	1904813	cellular_component	ficolin-1-rich granule lumen
Q	2001233	biological_process	regulation of apoptotic signaling pathway
S	0000413	biological_process	protein peptidyl-prolyl isomerization
S	0001933	biological_process	negative regulation of protein phosphorylation
S	0001934	biological_process	positive regulation of protein phosphorylation
S	0003723	molecular_function	RNA binding
S	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
S	0005178	molecular_function	integrin binding
S	0005515	molecular_function	protein binding
S	0005576	cellular_component	extracellular region
S	0005615	cellular_component	extracellular space
S	0005634	cellular_component	nucleus
S	0005737	cellular_component	cytoplasm
S	0005829	cellular_component	cytosol
S	0005925	cellular_component	focal adhesion
S	0006457	biological_process	protein folding
S	0006469	biological_process	negative regulation of protein kinase activity
S	0006915	biological_process	apoptotic process
S	0016018	molecular_function	cyclosporin A binding
S	0016020	cellular_component	membrane
S	0019076	biological_process	viral release from host cell
S	0030168	biological_process	platelet activation
S	0030182	biological_process	neuron differentiation
S	0030593	biological_process	neutrophil chemotaxis
S	0030595	biological_process	leukocyte chemotaxis
S	0031982	cellular_component	vesicle
S	0032148	biological_process	activation of protein kinase B activity
S	0032873	biological_process	negative regulation of stress-activated MAPK cascade
S	0032991	cellular_component	protein-containing complex
S	0034389	biological_process	lipid droplet organization
S	0034599	biological_process	cellular response to oxidative stress
S	0034774	cellular_component	secretory granule lumen
S	0035307	biological_process	positive regulation of protein dephosphorylation
S	0042118	biological_process	endothelial cell activation
S	0043410	biological_process	positive regulation of MAPK cascade
S	0045069	biological_process	regulation of viral genome replication
S	0045070	biological_process	positive regulation of viral genome replication
S	0046790	molecular_function	virion binding
S	0050714	biological_process	positive regulation of protein secretion
S	0051082	molecular_function	unfolded protein binding
S	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
S	0060352	biological_process	cell adhesion molecule production
S	0061944	biological_process	negative regulation of protein K48-linked ubiquitination
S	0070062	cellular_component	extracellular exosome
S	0070527	biological_process	platelet aggregation
S	1902176	biological_process	negative regulation of oxidative stress-induced intrinsic apoptotic signaling pathway
S	1903901	biological_process	negative regulation of viral life cycle
S	1904399	molecular_function	heparan sulfate binding
S	1904813	cellular_component	ficolin-1-rich granule lumen
S	2001233	biological_process	regulation of apoptotic signaling pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR CHAIN B OF CYCLOSPORIN A

Chain	Residue
B	HOH2001
M	ARG55
M	PHE60
M	GLN63
M	GLY72
M	ALA101
M	ASN102
M	ALA103
M	GLN111
M	PHE113
M	TRP121
B	HOH2002
M	HIS126
O	PRO30
O	TYR79
B	HOH2003
K	THR73
K	GLU81
K	ALA103
K	HOH2020
L	ABA6
L	SAR7

---

site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR CHAIN F OF CYCLOSPORIN A

Chain	Residue
F	HOH2001
F	HOH2002
K	MET1
K	HOH2006
O	THR73
O	GLU81
O	ALA103
O	HOH2037
P	ABA6
P	SAR7
P	MLE8
S	ARG55
S	PHE60
S	GLN63
S	GLY72
S	ALA101
S	ASN102
S	ALA103
S	GLN111
S	PHE113
S	TRP121
S	HIS126

---

site_id	AC3
Number of Residues	32
Details	BINDING SITE FOR CHAIN L OF CYCLOSPORIN A

Chain	Residue
B	SAR7
B	MLE8
B	HOH2002
K	ARG55
K	PHE60
K	GLN63
K	GLY72
K	ALA101
K	ASN102
K	ALA103
K	GLN111
K	PHE113
K	TRP121
K	HIS126
L	HOH2001
L	HOH2003
L	HOH2005
L	HOH2006
L	HOH2007
L	HOH2008
L	HOH2009
M	MET1
M	PRO30
M	THR73
M	TYR79
M	GLU81
M	ALA103
M	HOH2066
M	HOH2067
M	HOH2073
M	HOH2103
M	HOH2112

---

site_id	AC4
Number of Residues	21
Details	BINDING SITE FOR CHAIN P OF CYCLOSPORIN A

Chain	Residue
F	ABA6
F	SAR7
F	MLE8
O	ARG55
O	PHE60
O	GLN63
O	GLY72
O	ALA101
O	ASN102
O	ALA103
O	GLN111
O	PHE113
O	TRP121
O	HIS126
P	HOH2002
Q	PRO30
Q	LYS31
S	THR73
S	GLU81
S	ALA103
S	HOH2036

---

site_id	AC5
Number of Residues	14
Details	BINDING SITE FOR CHAIN R OF CYCLOSPORIN A

Chain	Residue
Q	GLN63
Q	GLY72
Q	THR73
Q	GLU81
Q	ALA101
Q	ASN102
Q	ALA103
Q	GLN111
Q	PHE113
Q	TRP121
Q	HIS126
S	MET1
Q	ARG55
Q	PHE60

---

Functional Information from PROSITE/UniProt

site_id	PS00170
Number of Residues	18
Details	CSA_PPIASE_1 Cyclophilin-type peptidyl-prolyl cis-trans isomerase signature. YkgScFHRIIpgFMcQGG

Chain	Residue	Details
K	TYR48-GLY65

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	MOD_RES: N-acetylmethionine => ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895, ECO:0007744|PubMed:22814378, ECO:0007744|PubMed:25944712

Chain	Residue	Details
K	MET1
M	MET1
O	MET1
Q	MET1
S	MET1

---

site_id	SWS_FT_FI2
Number of Residues	5
Details	MOD_RES: N-acetylvaline; partial; in Peptidyl-prolyl cis-trans isomerase A, N-terminally processed => ECO:0000269|PubMed:25489052, ECO:0000269|Ref.12, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:25944712

Chain	Residue	Details
K	VAL2
M	VAL2
O	VAL2
Q	VAL2
S	VAL2

---

site_id	SWS_FT_FI3
Number of Residues	10
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861

Chain	Residue	Details
K	LYS28
S	LYS82
K	LYS82
M	LYS28
M	LYS82
O	LYS28
O	LYS82
Q	LYS28
Q	LYS82
S	LYS28

---

site_id	SWS_FT_FI4
Number of Residues	15
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
K	LYS44
Q	LYS44
Q	LYS76
Q	LYS131
S	LYS44
S	LYS76
S	LYS131
K	LYS76
K	LYS131
M	LYS44
M	LYS76
M	LYS131
O	LYS44
O	LYS76
O	LYS131

---

site_id	SWS_FT_FI5
Number of Residues	5
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
K	SER77
M	SER77
O	SER77
Q	SER77
S	SER77

---

site_id	SWS_FT_FI6
Number of Residues	5
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:20068231

Chain	Residue	Details
K	THR93
M	THR93
O	THR93
Q	THR93
S	THR93

---

site_id	SWS_FT_FI7
Number of Residues	5
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:20364129, ECO:0000269|PubMed:25678563, ECO:0007744|PubMed:19608861

Chain	Residue	Details
K	ALY125
M	ALY125
O	ALY125
Q	ALY125
S	ALY125

---

site_id	SWS_FT_FI8
Number of Residues	5
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P17742

Chain	Residue	Details
K	LYS133
M	LYS133
O	LYS133
Q	LYS133
S	LYS133

---

site_id	SWS_FT_FI9
Number of Residues	5
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000255

Chain	Residue	Details
K	ASN108
M	ASN108
O	ASN108
Q	ASN108
S	ASN108

---

site_id	SWS_FT_FI10
Number of Residues	5
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate

Chain	Residue	Details
K	LYS28
M	LYS28
O	LYS28
Q	LYS28
S	LYS28

---

site_id	SWS_FT_FI11
Number of Residues	10
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733

Chain	Residue	Details
S	LYS82
K	LYS82
M	LYS82
O	LYS82
Q	LYS82

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 189

Chain	Residue	Details
K	ARG55	electrostatic stabiliser, hydrogen bond donor, steric role
K	PHE60	polar/non-polar interaction, steric role
K	GLN63	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
K	ASN102	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
K	PHE113	polar/non-polar interaction, steric role
K	LEU122	polar/non-polar interaction, steric role
K	HIS126	polar/non-polar interaction, steric role

---

site_id	MCSA2
Number of Residues	7
Details	M-CSA 189

Chain	Residue	Details
M	ARG55	electrostatic stabiliser, hydrogen bond donor, steric role
M	PHE60	polar/non-polar interaction, steric role
M	GLN63	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
M	ASN102	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
M	PHE113	polar/non-polar interaction, steric role
M	LEU122	polar/non-polar interaction, steric role
M	HIS126	polar/non-polar interaction, steric role

---

site_id	MCSA3
Number of Residues	7
Details	M-CSA 189

Chain	Residue	Details
O	ARG55	electrostatic stabiliser, hydrogen bond donor, steric role
O	PHE60	polar/non-polar interaction, steric role
O	GLN63	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
O	ASN102	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
O	PHE113	polar/non-polar interaction, steric role
O	LEU122	polar/non-polar interaction, steric role
O	HIS126	polar/non-polar interaction, steric role

---

site_id	MCSA4
Number of Residues	7
Details	M-CSA 189

Chain	Residue	Details
Q	ARG55	electrostatic stabiliser, hydrogen bond donor, steric role
Q	PHE60	polar/non-polar interaction, steric role
Q	GLN63	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
Q	ASN102	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
Q	PHE113	polar/non-polar interaction, steric role
Q	LEU122	polar/non-polar interaction, steric role
Q	HIS126	polar/non-polar interaction, steric role

---

site_id	MCSA5
Number of Residues	7
Details	M-CSA 189

Chain	Residue	Details
S	ARG55	electrostatic stabiliser, hydrogen bond donor, steric role
S	PHE60	polar/non-polar interaction, steric role
S	GLN63	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
S	ASN102	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor
S	PHE113	polar/non-polar interaction, steric role
S	LEU122	polar/non-polar interaction, steric role
S	HIS126	polar/non-polar interaction, steric role

---