7CBQ

Crystal structure of PDE4D catalytic domain in complex with Apremilast

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 MG A 501

Chain	Residue
A	ASP201
A	HOH630
A	HOH631
A	HOH661
A	HOH673
A	HOH758

---

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

Chain	Residue
A	ASP318
A	HOH630
A	HOH652
A	HIS164
A	HIS200
A	ASP201

---

site_id	AC3
Number of Residues	3
Details	binding site for residue MG A 503

Chain	Residue
A	ASP151
A	TYR153
A	HOH708

---

site_id	AC4
Number of Residues	4
Details	binding site for residue EDO A 504

Chain	Residue
A	LYS262
A	ILE265
A	ASP266
A	HOH634

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 505

Chain	Residue
A	THR186
A	LEU188
A	GLU189
A	SER259
A	MET263

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO A 506

Chain	Residue
A	ASN115
A	ALA155
A	ASN162
A	ILE163
A	HOH711
A	HOH724

---

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	3
Details	binding site for residue EDO A 508

Chain	Residue
A	LYS275
A	GLN311
A	HOH607

---

site_id	AC9
Number of Residues	2
Details	binding site for residue EDO A 509

Chain	Residue
A	VAL174
A	THR178

---

site_id	AD1
Number of Residues	2
Details	binding site for residue EDO A 510

Chain	Residue
A	ASN402
A	HOH765

---

site_id	AD2
Number of Residues	11
Details	binding site for residue A9L A 511

Chain	Residue
A	HIS160
A	MET273
A	ASP318
A	ASN321
A	ILE336
A	PHE340
A	SER368
A	GLN369
A	PHE372
A	HOH602
A	HOH758

---

site_id	AD3
Number of Residues	4
Details	binding site for residue EDO B 501

Chain	Residue
A	ASN224
B	LYS262
B	ASP266
B	HOH656

---

site_id	AD4
Number of Residues	6
Details	binding site for residue MG B 502

Chain	Residue
B	ASP201
B	HOH613
B	HOH623
B	HOH638
B	HOH670
B	HOH727

---

site_id	AD5
Number of Residues	6
Details	binding site for residue ZN B 503

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH613
B	HOH654

---

site_id	AD6
Number of Residues	4
Details	binding site for residue EDO B 504

Chain	Residue
B	ALA155
B	ASP156
B	VAL157
B	GLU338

---

site_id	AD7
Number of Residues	5
Details	binding site for residue EDO B 505

Chain	Residue
B	LEU175
B	THR178
B	TRP384
B	ASP391
B	ALA392

---

site_id	AD8
Number of Residues	2
Details	binding site for residue EDO B 506

Chain	Residue
B	MET222
B	HOH637

---

site_id	AD9
Number of Residues	12
Details	binding site for residue A9L B 507

Chain	Residue
B	HIS160
B	MET273
B	ASP318
B	ASN321
B	ILE336
B	PHE340
B	MET357
B	GLN369
B	PHE372
B	HOH601
B	HOH727
B	HOH735

---

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

---