6IMD

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	HOH614
A	HOH719

---

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

Chain	Residue
A	HOH661
A	HOH677
A	HOH782
A	ASP201
A	HOH614
A	HOH653

---

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

Chain	Residue
A	ASP151
A	TYR153
A	HOH741
B	ASP301
B	HOH632
B	HOH660

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG A 504

Chain	Residue
A	HOH635
A	HOH657
A	HOH824
A	HOH855
B	HOH619
B	HOH700

---

site_id	AC5
Number of Residues	7
Details	binding site for residue AH9 A 505

Chain	Residue
A	HIS160
A	ASN321
A	ILE336
A	MET357
A	GLN369
A	PHE372
A	HOH700

---

site_id	AC6
Number of Residues	3
Details	binding site for residue EDO A 506

Chain	Residue
A	SER208
A	PRO356
A	HOH783

---

site_id	AC7
Number of Residues	4
Details	binding site for residue EDO A 507

Chain	Residue
A	HIS154
A	ASP156
A	VAL157
A	PRO205

---

site_id	AC8
Number of Residues	4
Details	binding site for residue EDO A 508

Chain	Residue
A	ASN115
A	ALA155
A	ASN162
A	ILE163

---

site_id	AC9
Number of Residues	3
Details	binding site for residue EDO A 509

Chain	Residue
A	GLN327
A	HOH686
B	TRP405

---

site_id	AD1
Number of Residues	3
Details	binding site for residue EDO A 510

Chain	Residue
A	GLU366
A	TYR406
A	HOH681

---

site_id	AD2
Number of Residues	4
Details	binding site for residue EDO A 511

Chain	Residue
A	THR134
A	LYS136
A	ASN251
A	GLN256

---

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

Chain	Residue
A	MET286
A	LYS290
A	LYS291
A	LEU299
A	LEU300
A	HOH682

---

site_id	AD4
Number of Residues	4
Details	binding site for residue EDO A 513

Chain	Residue
A	LYS262
A	ILE265
A	ASP266
A	HOH644

---

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO A 514

Chain	Residue
A	ASP266
A	LEU269
A	LYS275
A	GLN311

---

site_id	AD6
Number of Residues	6
Details	binding site for residue EDO B 501

Chain	Residue
A	ASN224
A	SER226
B	LYS262
B	ILE265
B	ASP266
B	HOH622

---

site_id	AD7
Number of Residues	6
Details	binding site for residue ZN B 502

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH616
B	HOH696

---

site_id	AD8
Number of Residues	6
Details	binding site for residue MG B 503

Chain	Residue
B	ASP201
B	HOH616
B	HOH636
B	HOH650
B	HOH669
B	HOH737

---

site_id	AD9
Number of Residues	8
Details	binding site for residue AH9 B 504

Chain	Residue
B	HIS160
B	ASN321
B	ILE336
B	MET357
B	GLN369
B	PHE372
B	HOH710
B	HOH773

---

site_id	AE1
Number of Residues	4
Details	binding site for residue EDO B 505

Chain	Residue
B	SER208
B	PHE340
B	PRO356
B	HOH613

---

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

---