5WH6

Crystal structure of PDE4D2 in complex with inhibitor (S_Zl-n-91)

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	14
Details	binding site for residue AKJ A 601

Chain	Residue
A	ASN321
A	GLN369
A	PHE372
A	HOH823
A	HOH859
A	HOH878
A	PRO322
A	TYR329
A	TRP332
A	THR333
A	ILE336
A	PHE340
A	MET357
A	SER368

---

site_id	AC2
Number of Residues	6
Details	binding site for residue ZN A 602

Chain	Residue
A	HIS164
A	HIS200
A	ASP201
A	ASP318
A	HOH702
A	HOH806

---

site_id	AC3
Number of Residues	6
Details	binding site for residue MG A 603

Chain	Residue
A	ASP201
A	HOH702
A	HOH722
A	HOH726
A	HOH787
A	HOH850

---

site_id	AC4
Number of Residues	6
Details	binding site for residue MG A 604

Chain	Residue
A	ASP151
A	TYR153
A	HOH836
B	ASP301
B	HOH706
B	HOH762

---

site_id	AC5
Number of Residues	11
Details	binding site for residue AKJ B 601

Chain	Residue
B	ASN321
B	PRO322
B	TYR329
B	TRP332
B	THR333
B	ILE336
B	MET357
B	SER368
B	GLN369
B	PHE372
B	HOH788

---

site_id	AC6
Number of Residues	6
Details	binding site for residue ZN B 602

Chain	Residue
B	HIS164
B	HIS200
B	ASP201
B	ASP318
B	HOH702
B	HOH740

---

site_id	AC7
Number of Residues	6
Details	binding site for residue MG B 603

Chain	Residue
B	ASP201
B	HOH702
B	HOH716
B	HOH757
B	HOH782
B	HOH820

---

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

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER46
A	SER73
B	SER46
B	SER73

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO)

Chain	Residue	Details
A	LYS85
B	LYS85

---