6IND

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	9
Details	binding site for residue AKO A 501

Chain	Residue
A	HIS160
A	MET273
A	ASN321
A	ILE336
A	PHE340
A	MET357
A	GLN369
A	PHE372
A	HOH728

---

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

Chain	Residue
A	ASP201
A	HOH620
A	HOH650
A	HOH661
A	HOH685
A	HOH726

---

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

Chain	Residue
A	HIS164
A	HIS200
A	ASP201
A	ASP318
A	HOH620
A	HOH716

---

site_id	AC4
Number of Residues	5
Details	binding site for residue EDO A 504

Chain	Residue
A	SER208
A	PHE340
A	PRO356
A	CYS358
A	HOH622

---

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

Chain	Residue
A	HIS378
A	PRO379
A	GLU382
A	HOH652

---

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

Chain	Residue
A	LYS262
A	ASP266
B	HOH616

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO B 501

Chain	Residue
A	ASN224
A	HOH657
B	LYS262
B	ILE265
B	ASP266

---

site_id	AC8
Number of Residues	7
Details	binding site for residue AKO B 502

Chain	Residue
B	HIS160
B	MET273
B	ILE336
B	MET357
B	GLN369
B	PHE372
B	HOH643

---

site_id	AC9
Number of Residues	3
Details	binding site for residue MG B 503

Chain	Residue
B	ASP301
B	HOH602
B	HOH627

---

site_id	AD1
Number of Residues	6
Details	binding site for residue MG B 504

Chain	Residue
B	ASP201
B	HOH606
B	HOH607
B	HOH613
B	HOH642
B	HOH684

---

site_id	AD2
Number of Residues	6
Details	binding site for residue ZN B 505

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH606
B	HOH655

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO B 506

Chain	Residue
B	SER208
B	PHE340
B	PRO356
B	CYS358
B	HOH635

---

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	ACT_SITE: Proton donor => ECO:0000250|UniProtKB:Q07343

Chain	Residue	Details
A	HIS160
B	HIS160

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7

Chain	Residue	Details
A	HIS160
A	ASN321
A	GLN369
B	HIS160
B	ASN321
B	GLN369

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:2PW3

Chain	Residue	Details
A	HIS164
B	HIS164

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:17582435, ECO:0007744|PDB:1PTW, ECO:0007744|PDB:1TB7, ECO:0007744|PDB:1TBB, ECO:0007744|PDB:1XOM, ECO:0007744|PDB:1XON, ECO:0007744|PDB:1XOQ, ECO:0007744|PDB:1XOR, ECO:0007744|PDB:2PW3

Chain	Residue	Details
A	HIS200
A	ASP318
B	HIS200
B	ASP318

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:14609333, ECO:0007744|PDB:1PTW

Chain	Residue	Details
A	ASP201
A	PHE372
B	ASP201
B	PHE372

---