Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5K1I

PDE4 crystal structure in complex with small molecule inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
A	0007165	biological_process	signal transduction
A	0008081	molecular_function	phosphoric diester hydrolase activity
B	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
B	0007165	biological_process	signal transduction
B	0008081	molecular_function	phosphoric diester hydrolase activity
C	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
C	0007165	biological_process	signal transduction
C	0008081	molecular_function	phosphoric diester hydrolase activity
D	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
D	0007165	biological_process	signal transduction
D	0008081	molecular_function	phosphoric diester hydrolase activity
E	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
E	0007165	biological_process	signal transduction
E	0008081	molecular_function	phosphoric diester hydrolase activity
F	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
F	0007165	biological_process	signal transduction
F	0008081	molecular_function	phosphoric diester hydrolase activity
G	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
G	0007165	biological_process	signal transduction
G	0008081	molecular_function	phosphoric diester hydrolase activity
H	0004114	molecular_function	3',5'-cyclic-nucleotide phosphodiesterase activity
H	0007165	biological_process	signal transduction
H	0008081	molecular_function	phosphoric diester hydrolase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue 6PT A 1001

Chain	Residue
A	TYR159
A	GLN369
A	PHE372
A	MET273
A	LEU319
A	ASN321
A	TRP332
A	ILE336
A	MET337
A	PHE340
A	SER368

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN A 1002

Chain	Residue
A	HIS164
A	HIS200
A	ASP201
A	ASP318

site_id	AC3
Number of Residues	2
Details	binding site for residue MG A 1003

Chain	Residue
A	HIS200
A	ASP201

site_id	AC4
Number of Residues	12
Details	binding site for residue 6PT B 1001

Chain	Residue
B	TYR159
B	MET273
B	LEU319
B	ASN321
B	TRP332
B	THR333
B	ILE336
B	MET337
B	PHE340
B	MET357
B	GLN369
B	PHE372

site_id	AC5
Number of Residues	4
Details	binding site for residue ZN B 1002

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318

site_id	AC6
Number of Residues	2
Details	binding site for residue MG B 1003

Chain	Residue
B	ASP201
B	HIS233

site_id	AC7
Number of Residues	12
Details	binding site for residue 6PT C 1001

Chain	Residue
C	TYR159
C	MET273
C	LEU319
C	ASN321
C	ILE336
C	MET337
C	PHE340
C	MET357
C	GLN369
C	PHE372
C	HOH1102
C	HOH1106

site_id	AC8
Number of Residues	4
Details	binding site for residue ZN C 1002

Chain	Residue
C	HIS164
C	HIS200
C	ASP201
C	ASP318

site_id	AC9
Number of Residues	1
Details	binding site for residue MG C 1003

Chain	Residue
C	ASP201

site_id	AD1
Number of Residues	10
Details	binding site for residue 6PT D 1001

Chain	Residue
D	TYR159
D	MET273
D	ASN321
D	TRP332
D	ILE336
D	MET337
D	PHE340
D	GLN369
D	PHE372
D	HOH1108

site_id	AD2
Number of Residues	4
Details	binding site for residue ZN D 1002

Chain	Residue
D	HIS164
D	HIS200
D	ASP201
D	ASP318

site_id	AD3
Number of Residues	1
Details	binding site for residue MG D 1003

Chain	Residue
D	ASP201

site_id	AD4
Number of Residues	10
Details	binding site for residue 6PT E 1001

Chain	Residue
E	TYR159
E	MET273
E	LEU319
E	ASN321
E	ILE336
E	MET337
E	PHE340
E	SER368
E	GLN369
E	PHE372

site_id	AD5
Number of Residues	5
Details	binding site for residue ZN E 1002

Chain	Residue
E	HIS164
E	HIS200
E	ASP201
E	ASP318
E	MG1003

site_id	AD6
Number of Residues	2
Details	binding site for residue MG E 1003

Chain	Residue
E	ASP201
E	ZN1002

site_id	AD7
Number of Residues	11
Details	binding site for residue 6PT F 1001

Chain	Residue
F	TYR159
F	MET273
F	LEU319
F	ASN321
F	TRP332
F	ILE336
F	PHE340
F	MET357
F	SER368
F	GLN369
F	PHE372

site_id	AD8
Number of Residues	4
Details	binding site for residue ZN F 1002

Chain	Residue
F	HIS164
F	HIS200
F	ASP201
F	ASP318

site_id	AD9
Number of Residues	1
Details	binding site for residue MG F 1003

Chain	Residue
F	ASP201

site_id	AE1
Number of Residues	10
Details	binding site for residue 6PT G 1001

Chain	Residue
G	TYR159
G	MET273
G	LEU319
G	ASN321
G	TRP332
G	ILE336
G	MET337
G	PHE340
G	GLN369
G	PHE372

site_id	AE2
Number of Residues	4
Details	binding site for residue ZN G 1002

Chain	Residue
G	HIS164
G	HIS200
G	ASP201
G	ASP318

site_id	AE3
Number of Residues	1
Details	binding site for residue MG G 1003

Chain	Residue
G	ASP201

site_id	AE4
Number of Residues	12
Details	binding site for residue 6PT H 1001

Chain	Residue
H	TYR159
H	MET273
H	LEU319
H	ASN321
H	THR333
H	MET337
H	PHE340
H	MET357
H	GLN369
H	PHE372
H	HOH1101
H	HOH1105

site_id	AE5
Number of Residues	4
Details	binding site for residue ZN H 1002

Chain	Residue
H	HIS164
H	HIS200
H	ASP201
H	ASP318

site_id	AE6
Number of Residues	1
Details	binding site for residue MG H 1003

Chain	Residue
H	ASP201

Functional Information from PROSITE/UniProt

site_id	PS00126
Number of Residues	12
Details	PDEASE_I_1 3'5'-cyclic nucleotide phosphodiesterase domain signature. HDVdHpGvsNqF

Chain	Residue	Details
A	HIS200-PHE211

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	Active site: {"description":"Proton donor","evidences":[{"source":"UniProtKB","id":"Q07343","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17582435","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TBB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XON","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PW3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17582435","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TBB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XON","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PW3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"14609333","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1PTW","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)