4KP6

Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine derivative

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 1S1 A 501

Chain	Residue
A	HIS234
A	HOH635
A	HOH646
A	MET347
A	ASN395
A	THR407
A	ILE410
A	MET431
A	SER442
A	GLN443
A	PHE446

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 502

Chain	Residue
A	ASP275
A	HOH612
A	HOH613
A	HOH709
A	HOH712
A	HOH726

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN A 503

Chain	Residue
A	HIS238
A	HIS274
A	ASP275
A	ASP392
A	HOH711
A	HOH712

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 504

Chain	Residue
A	THR208
A	PHE209
A	ASN325
A	LEU326
A	GLN330
A	EDO521

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE EDO A 505

Chain	Residue
A	ARG210
A	ILE211
A	SER212
A	THR215
A	ASP321
A	ILE322
A	MET324
A	ASN325
A	EDO514
A	HOH605

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 506

Chain	Residue
A	ASN283
A	ASP299
A	SER301
A	VAL302
A	ASP346
A	SER348
A	EDO522

---

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO A 507

Chain	Residue
A	GLY177
A	LEU178
A	ILE180
A	ASP241
A	LYS398
A	LEU402
A	TRP406
A	HOH611

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 508

Chain	Residue
A	SER251
A	PRO253
A	ASP256
A	HOH669

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 509

Chain	Residue
A	LEU249
A	THR252
A	TRP458
A	ASP465

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 510

Chain	Residue
A	ASP340
A	LYS349
A	ARG385

---

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 511

Chain	Residue
A	TYR297
A	HIS306
A	ALA309

---

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 512

Chain	Residue
A	HIS234
A	GLY280
A	GLU413
A	PHE414
A	GLN417
A	EDO518
A	HOH625

---

site_id	BC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 513

Chain	Residue
A	SER212
A	HOH647
A	HOH671

---

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 514

Chain	Residue
A	SER212
A	ASP214
A	THR215
A	HIS319
A	EDO505

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 515

Chain	Residue
A	ARG331
A	ARG335
A	EDO516

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 516

Chain	Residue
A	ASP321
A	ARG331
A	ARG335
A	EDO515
A	HOH653

---

site_id	BC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 517

Chain	Residue
A	ASN174
A	GLU202
A	HIS247
A	SER251

---

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 518

Chain	Residue
A	HOH693
A	HOH710
A	SER282
A	PRO430
A	CYS432
A	EDO512

---

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 519

Chain	Residue
A	LEU250
A	LEU255
A	ALA257
A	VAL258
A	PHE259

---

site_id	CC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 520

Chain	Residue
A	ARG203
A	ASP204
A	LEU205
A	THR208
A	ASP261
A	ILE264
A	HOH609

---

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 521

Chain	Residue
A	THR208
A	ASP261
A	GLN330
A	EDO504
A	HOH746

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 522

Chain	Residue
A	GLU300
A	ASP346
A	LYS349
A	EDO506

---

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	HIS274-PHE285

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15685167","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17727341","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18539455","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1RO6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RO9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2QYL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3D3P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10846163","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15685167","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17727341","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18539455","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1F0J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RO6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RO9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2QYL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3D3P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10846163","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15576036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15685167","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18539455","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1F0J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RO6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1RO9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XLZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM4","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XM6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XMY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XOT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2H","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1Y2J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3D3P","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15003452","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"15260978","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"1ROR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1TB5","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---