Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1XOQ

Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Roflumilast

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 1001

Chain	Residue
A	HIS164
A	HIS200
A	ASP201
A	ASP318
A	HOH1010
A	HOH1011

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 1002

Chain	Residue
A	HOH1008
A	HOH1009
A	HOH1010
A	ASP201
A	HOH1006
A	HOH1007

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN B 1001

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH2007
B	HOH2008

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 1002

Chain	Residue
B	ASP201
B	HOH2003
B	HOH2004
B	HOH2005
B	HOH2006
B	HOH2007

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 1003

Chain	Residue
A	PRO411
B	GLU366
B	TYR406
B	HOH2051

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 1003

Chain	Residue
A	LYS262
A	ILE265
A	ASP266
A	HOH1038
B	ASN224

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1004

Chain	Residue
A	TRP405
A	HOH1085
B	HOH2100

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 1004

Chain	Residue
A	ASN115
A	GLU150
A	ASP151
A	TYR153
A	ASN162
A	HOH1093
A	HOH1123
B	GLN407

site_id	AC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 1005

Chain	Residue
B	SER208
B	PRO356
B	HOH2015

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 1005

Chain	Residue
A	PRO179
A	SER295
A	GLY296
A	HIS389
A	PRO390
A	ASP391

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 415

Chain	Residue
A	ASN115
A	ALA155
A	ASN161
A	ASN162
A	ILE163
A	HOH1123

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 416

Chain	Residue
A	LEU175
A	THR178
A	TRP384
A	VAL388
A	ASP391
A	ALA392
A	HOH1148

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 417

Chain	Residue
B	PHE238
B	PHE249
B	ARG257
B	EDO418
B	HOH2097

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 418

Chain	Residue
B	ARG257
B	GLN258
B	ARG261
B	EDO417
B	HOH2163

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 419

Chain	Residue
A	ALA183
A	VAL184
A	HOH1071
B	ASN115
B	ARG116

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 420

Chain	Residue
A	PHE238
A	PHE249
A	ARG257
A	ARG261
A	HOH1172

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 422

Chain	Residue
A	SER208
A	PHE340
A	PRO356
A	HOH1043
A	HOH1181

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 425

Chain	Residue
A	ASN224
B	LYS262
B	ILE265
B	ASP266
B	HOH2029

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 427

Chain	Residue
B	ASN402
B	EDO428
B	HOH2044

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO B 428

Chain	Residue
A	GLU366
B	EDO427

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 429

Chain	Residue
A	ASP151
A	HIS152
B	ASP374
B	TYR375
B	HOH2105

site_id	CC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 430

Chain	Residue
B	ASP156
B	VAL157
B	ALA158
B	GLU339
B	ARG342
B	HOH2037
B	HOH2058
B	HOH2120

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 433

Chain	Residue
A	HIS154
A	ASP203
A	PRO205

site_id	CC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 434

Chain	Residue
B	ASN115
B	ALA155
B	ASN162
B	HOH2055
B	HOH2181

site_id	CC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO B 441

Chain	Residue
B	MET273
B	MET277
B	HOH2063

site_id	CC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE EDO A 444

Chain	Residue
A	HOH1048

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 445

Chain	Residue
A	ASP156
A	VAL157
A	ALA158
A	GLU339
A	ARG342
A	HOH1042

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO B 448

Chain	Residue
B	SER368
B	PHE372
B	ILE376
B	ROF501

site_id	DC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ROF A 502

Chain	Residue
A	HIS160
A	THR271
A	MET273
A	ASP318
A	LEU319
A	ASN321
A	PRO322
A	TYR329
A	TRP332
A	THR333
A	ILE336
A	MET357
A	SER368
A	GLN369
A	PHE372
A	HOH1008
A	HOH1015

site_id	DC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ROF B 501

Chain	Residue
B	HIS160
B	THR271
B	MET273
B	ASP318
B	LEU319
B	ASN321
B	PRO322
B	TYR329
B	TRP332
B	THR333
B	ILE336
B	MET357
B	GLN369
B	PHE372
B	EDO448
B	HOH2005
B	HOH2009
B	HOH2101

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	2
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	6
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	2
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	4
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	4
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)