7F0M

Crystal Structure of human Pin1 complexed with a potent covalent inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000413	biological_process	protein peptidyl-prolyl isomerization
A	0001666	biological_process	response to hypoxia
A	0001934	biological_process	positive regulation of protein phosphorylation
A	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
A	0003774	molecular_function	cytoskeletal motor activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006626	biological_process	protein targeting to mitochondrion
A	0007088	biological_process	regulation of mitotic nuclear division
A	0007266	biological_process	Rho protein signal transduction
A	0008013	molecular_function	beta-catenin binding
A	0010468	biological_process	regulation of gene expression
A	0016607	cellular_component	nuclear speck
A	0016853	molecular_function	isomerase activity
A	0016859	molecular_function	cis-trans isomerase activity
A	0030182	biological_process	neuron differentiation
A	0030496	cellular_component	midbody
A	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
A	0031434	molecular_function	mitogen-activated protein kinase kinase binding
A	0031647	biological_process	regulation of protein stability
A	0031648	biological_process	protein destabilization
A	0032465	biological_process	regulation of cytokinesis
A	0032794	molecular_function	GTPase activating protein binding
A	0036064	cellular_component	ciliary basal body
A	0042177	biological_process	negative regulation of protein catabolic process
A	0045944	biological_process	positive regulation of transcription by RNA polymerase II
A	0046785	biological_process	microtubule polymerization
A	0048156	molecular_function	tau protein binding
A	0050808	biological_process	synapse organization
A	0050815	molecular_function	phosphoserine residue binding
A	0050816	molecular_function	phosphothreonine residue binding
A	0050821	biological_process	protein stabilization
A	0051219	molecular_function	phosphoprotein binding
A	0060392	biological_process	negative regulation of SMAD protein signal transduction
A	0070373	biological_process	negative regulation of ERK1 and ERK2 cascade
A	0071456	biological_process	cellular response to hypoxia
A	0090263	biological_process	positive regulation of canonical Wnt signaling pathway
A	0098978	cellular_component	glutamatergic synapse
A	0099524	cellular_component	postsynaptic cytosol
A	1900180	biological_process	regulation of protein localization to nucleus
A	1902430	biological_process	negative regulation of amyloid-beta formation
A	1903444	biological_process	negative regulation of brown fat cell differentiation
A	1990757	molecular_function	ubiquitin ligase activator activity
A	2000146	biological_process	negative regulation of cell motility
B	0000413	biological_process	protein peptidyl-prolyl isomerization
B	0001666	biological_process	response to hypoxia
B	0001934	biological_process	positive regulation of protein phosphorylation
B	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
B	0003774	molecular_function	cytoskeletal motor activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006626	biological_process	protein targeting to mitochondrion
B	0007088	biological_process	regulation of mitotic nuclear division
B	0007266	biological_process	Rho protein signal transduction
B	0008013	molecular_function	beta-catenin binding
B	0010468	biological_process	regulation of gene expression
B	0016607	cellular_component	nuclear speck
B	0016853	molecular_function	isomerase activity
B	0016859	molecular_function	cis-trans isomerase activity
B	0030182	biological_process	neuron differentiation
B	0030496	cellular_component	midbody
B	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
B	0031434	molecular_function	mitogen-activated protein kinase kinase binding
B	0031647	biological_process	regulation of protein stability
B	0031648	biological_process	protein destabilization
B	0032465	biological_process	regulation of cytokinesis
B	0032794	molecular_function	GTPase activating protein binding
B	0036064	cellular_component	ciliary basal body
B	0042177	biological_process	negative regulation of protein catabolic process
B	0045944	biological_process	positive regulation of transcription by RNA polymerase II
B	0046785	biological_process	microtubule polymerization
B	0048156	molecular_function	tau protein binding
B	0050808	biological_process	synapse organization
B	0050815	molecular_function	phosphoserine residue binding
B	0050816	molecular_function	phosphothreonine residue binding
B	0050821	biological_process	protein stabilization
B	0051219	molecular_function	phosphoprotein binding
B	0060392	biological_process	negative regulation of SMAD protein signal transduction
B	0070373	biological_process	negative regulation of ERK1 and ERK2 cascade
B	0071456	biological_process	cellular response to hypoxia
B	0090263	biological_process	positive regulation of canonical Wnt signaling pathway
B	0098978	cellular_component	glutamatergic synapse
B	0099524	cellular_component	postsynaptic cytosol
B	1900180	biological_process	regulation of protein localization to nucleus
B	1902430	biological_process	negative regulation of amyloid-beta formation
B	1903444	biological_process	negative regulation of brown fat cell differentiation
B	1990757	molecular_function	ubiquitin ligase activator activity
B	2000146	biological_process	negative regulation of cell motility
C	0000413	biological_process	protein peptidyl-prolyl isomerization
C	0001666	biological_process	response to hypoxia
C	0001934	biological_process	positive regulation of protein phosphorylation
C	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
C	0003774	molecular_function	cytoskeletal motor activity
C	0005515	molecular_function	protein binding
C	0005634	cellular_component	nucleus
C	0005654	cellular_component	nucleoplasm
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006626	biological_process	protein targeting to mitochondrion
C	0007088	biological_process	regulation of mitotic nuclear division
C	0007266	biological_process	Rho protein signal transduction
C	0008013	molecular_function	beta-catenin binding
C	0010468	biological_process	regulation of gene expression
C	0016607	cellular_component	nuclear speck
C	0016853	molecular_function	isomerase activity
C	0016859	molecular_function	cis-trans isomerase activity
C	0030182	biological_process	neuron differentiation
C	0030496	cellular_component	midbody
C	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
C	0031434	molecular_function	mitogen-activated protein kinase kinase binding
C	0031647	biological_process	regulation of protein stability
C	0031648	biological_process	protein destabilization
C	0032465	biological_process	regulation of cytokinesis
C	0032794	molecular_function	GTPase activating protein binding
C	0036064	cellular_component	ciliary basal body
C	0042177	biological_process	negative regulation of protein catabolic process
C	0045944	biological_process	positive regulation of transcription by RNA polymerase II
C	0046785	biological_process	microtubule polymerization
C	0048156	molecular_function	tau protein binding
C	0050808	biological_process	synapse organization
C	0050815	molecular_function	phosphoserine residue binding
C	0050816	molecular_function	phosphothreonine residue binding
C	0050821	biological_process	protein stabilization
C	0051219	molecular_function	phosphoprotein binding
C	0060392	biological_process	negative regulation of SMAD protein signal transduction
C	0070373	biological_process	negative regulation of ERK1 and ERK2 cascade
C	0071456	biological_process	cellular response to hypoxia
C	0090263	biological_process	positive regulation of canonical Wnt signaling pathway
C	0098978	cellular_component	glutamatergic synapse
C	0099524	cellular_component	postsynaptic cytosol
C	1900180	biological_process	regulation of protein localization to nucleus
C	1902430	biological_process	negative regulation of amyloid-beta formation
C	1903444	biological_process	negative regulation of brown fat cell differentiation
C	1990757	molecular_function	ubiquitin ligase activator activity
C	2000146	biological_process	negative regulation of cell motility
D	0000413	biological_process	protein peptidyl-prolyl isomerization
D	0001666	biological_process	response to hypoxia
D	0001934	biological_process	positive regulation of protein phosphorylation
D	0003755	molecular_function	peptidyl-prolyl cis-trans isomerase activity
D	0003774	molecular_function	cytoskeletal motor activity
D	0005515	molecular_function	protein binding
D	0005634	cellular_component	nucleus
D	0005654	cellular_component	nucleoplasm
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006626	biological_process	protein targeting to mitochondrion
D	0007088	biological_process	regulation of mitotic nuclear division
D	0007266	biological_process	Rho protein signal transduction
D	0008013	molecular_function	beta-catenin binding
D	0010468	biological_process	regulation of gene expression
D	0016607	cellular_component	nuclear speck
D	0016853	molecular_function	isomerase activity
D	0016859	molecular_function	cis-trans isomerase activity
D	0030182	biological_process	neuron differentiation
D	0030496	cellular_component	midbody
D	0030512	biological_process	negative regulation of transforming growth factor beta receptor signaling pathway
D	0031434	molecular_function	mitogen-activated protein kinase kinase binding
D	0031647	biological_process	regulation of protein stability
D	0031648	biological_process	protein destabilization
D	0032465	biological_process	regulation of cytokinesis
D	0032794	molecular_function	GTPase activating protein binding
D	0036064	cellular_component	ciliary basal body
D	0042177	biological_process	negative regulation of protein catabolic process
D	0045944	biological_process	positive regulation of transcription by RNA polymerase II
D	0046785	biological_process	microtubule polymerization
D	0048156	molecular_function	tau protein binding
D	0050808	biological_process	synapse organization
D	0050815	molecular_function	phosphoserine residue binding
D	0050816	molecular_function	phosphothreonine residue binding
D	0050821	biological_process	protein stabilization
D	0051219	molecular_function	phosphoprotein binding
D	0060392	biological_process	negative regulation of SMAD protein signal transduction
D	0070373	biological_process	negative regulation of ERK1 and ERK2 cascade
D	0071456	biological_process	cellular response to hypoxia
D	0090263	biological_process	positive regulation of canonical Wnt signaling pathway
D	0098978	cellular_component	glutamatergic synapse
D	0099524	cellular_component	postsynaptic cytosol
D	1900180	biological_process	regulation of protein localization to nucleus
D	1902430	biological_process	negative regulation of amyloid-beta formation
D	1903444	biological_process	negative regulation of brown fat cell differentiation
D	1990757	molecular_function	ubiquitin ligase activator activity
D	2000146	biological_process	negative regulation of cell motility

Functional Information from PROSITE/UniProt

site_id	PS01096
Number of Residues	21
Details	PPIC_PPIASE_1 PpiC-type peptidyl-prolyl cis-trans isomerase signature. FEsLAsqfSdcs.Saka..RGdLG

Chain	Residue	Details
A	PHE103-GLY123

---

site_id	PS01159
Number of Residues	27
Details	WW_DOMAIN_1 WW/rsp5/WWP domain signature. WekamsrssgrvYYfnhitnaSQWERP

Chain	Residue	Details
A	TRP11-PRO37

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	444
Details	Domain: {"description":"PpiC","evidences":[{"source":"PROSITE-ProRule","id":"PRU00278","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine; by DAPK1","evidences":[{"source":"PubMed","id":"21497122","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"29686383","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"17525332","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 511

Chain	Residue	Details
A	HIS59	proton shuttle (general acid/base)
A	CYS113	covalently attached, electrostatic stabiliser
A	GLN131	electrostatic stabiliser
A	SER154	electrostatic stabiliser
A	HIS157	electrostatic stabiliser

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 511

Chain	Residue	Details
B	HIS59	proton shuttle (general acid/base)
B	CYS113	covalently attached, electrostatic stabiliser
B	GLN131	electrostatic stabiliser
B	SER154	electrostatic stabiliser
B	HIS157	electrostatic stabiliser

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 511

Chain	Residue	Details
C	HIS59	proton shuttle (general acid/base)
C	CYS113	covalently attached, electrostatic stabiliser
C	GLN131	electrostatic stabiliser
C	SER154	electrostatic stabiliser
C	HIS157	electrostatic stabiliser

---

site_id	MCSA4
Number of Residues	5
Details	M-CSA 511

Chain	Residue	Details
D	HIS59	proton shuttle (general acid/base)
D	CYS113	covalently attached, electrostatic stabiliser
D	GLN131	electrostatic stabiliser
D	SER154	electrostatic stabiliser
D	HIS157	electrostatic stabiliser

---