6IMO

Crystal structure of PDE4D complexed with a novel 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue ZN A 501

Chain	Residue
A	HIS164
A	HIS200
A	ASP201
A	ASP318
A	HOH611
A	HOH732

---

site_id	AC2
Number of Residues	6
Details	binding site for residue MG A 502

Chain	Residue
A	HOH694
A	HOH696
A	HOH775
A	ASP201
A	HOH611
A	HOH664

---

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 503

Chain	Residue
A	ASP151
A	TYR153
A	HOH729
B	ASP301
B	HOH632
B	HOH633

---

site_id	AC4
Number of Residues	9
Details	binding site for residue AJL A 504

Chain	Residue
A	TYR159
A	MET273
A	ILE336
A	MET357
A	GLN369
A	PHE372
A	HOH616
A	HOH650
A	HOH740

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO A 505

Chain	Residue
A	ASP266
A	LEU269
A	LYS275
A	GLN311

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 506

Chain	Residue
A	LYS262
A	ILE265
A	ASP266
A	HOH638

---

site_id	AC7
Number of Residues	1
Details	binding site for residue EDO A 507

Chain	Residue
A	ASN402

---

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO A 508

Chain	Residue
A	PRO356
A	CYS358
A	HOH740

---

site_id	AC9
Number of Residues	4
Details	binding site for residue EDO A 509

Chain	Residue
A	ASN115
A	ALA155
A	ASN162
A	ILE163

---

site_id	AD1
Number of Residues	1
Details	binding site for residue EDO A 510

Chain	Residue
A	EDO511

---

site_id	AD2
Number of Residues	6
Details	binding site for residue EDO A 511

Chain	Residue
A	THR186
A	GLU189
A	SER259
A	MET263
A	EDO510
A	HOH702

---

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO A 512

Chain	Residue
A	PHE238
A	PHE249
A	ARG257
A	LEU260
A	ARG261
A	HOH601

---

site_id	AD4
Number of Residues	6
Details	binding site for residue ZN B 501

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH636
B	HOH679

---

site_id	AD5
Number of Residues	6
Details	binding site for residue MG B 502

Chain	Residue
B	ASP201
B	HOH629
B	HOH636
B	HOH651
B	HOH682
B	HOH723

---

site_id	AD6
Number of Residues	9
Details	binding site for residue AJL B 503

Chain	Residue
B	TYR159
B	MET273
B	ILE336
B	PHE340
B	MET357
B	GLN369
B	PHE372
B	HOH611
B	HOH647

---

site_id	AD7
Number of Residues	3
Details	binding site for residue EDO B 504

Chain	Residue
B	SER208
B	PHE340
B	PRO356

---

site_id	AD8
Number of Residues	3
Details	binding site for residue EDO B 505

Chain	Residue
B	LYS262
B	ASP266
B	HOH645

---

site_id	AD9
Number of Residues	8
Details	binding site for residue EDO B 506

Chain	Residue
A	GLN407
B	ASN115
B	GLU150
B	ASP151
B	TYR153
B	ASN162
B	HOH608
B	HOH613

---

site_id	AE1
Number of Residues	6
Details	binding site for residue EDO B 507

Chain	Residue
B	ASN209
B	GLN210
B	HOH604
B	HOH637
B	HOH674
B	HOH686

---

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

---