5K6J

Human Phospodiesterase 4B in complex with pyridyloxy-benzoxaborole based 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue ZN A 501

Chain	Residue
A	HIS238
A	HIS274
A	ASP275
A	ASP392
A	6QQ503

---

site_id	AC2
Number of Residues	5
Details	binding site for residue MG A 502

Chain	Residue
A	HOH662
A	ASP275
A	6QQ503
A	HOH603
A	HOH639

---

site_id	AC3
Number of Residues	17
Details	binding site for residue 6QQ A 503

Chain	Residue
A	HIS234
A	HIS238
A	HIS274
A	ASP275
A	MET347
A	ASP392
A	LEU393
A	ASN395
A	PRO396
A	ILE410
A	MET431
A	GLN443
A	PHE446
A	ZN501
A	MG502
A	HOH639
A	HOH666

---

site_id	AC4
Number of Residues	8
Details	binding site for residue EDO A 504

Chain	Residue
A	THR208
A	PHE209
A	ASN325
A	LEU326
A	THR327
A	GLN330
A	EDO520
A	HOH621

---

site_id	AC5
Number of Residues	6
Details	binding site for residue EDO A 505

Chain	Residue
A	THR215
A	HIS319
A	CYS320
A	ASP321
A	MET324
A	HOH674

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 506

Chain	Residue
A	HIS226
A	EDO507
A	HOH605
A	HOH608

---

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

Chain	Residue
A	HIS226
A	LYS313
A	EDO506
A	HOH605

---

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 508

Chain	Residue
A	SER251
A	ASP256

---

site_id	AC9
Number of Residues	5
Details	binding site for residue EDO A 509

Chain	Residue
A	LEU249
A	THR252
A	TRP458
A	ASP465
A	ILE469

---

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

Chain	Residue
A	ALA167
A	GLU171
A	HOH619

---

site_id	AD2
Number of Residues	3
Details	binding site for residue EDO A 511

Chain	Residue
A	SER429
A	PRO430
A	MET431

---

site_id	AD3
Number of Residues	2
Details	binding site for residue EDO A 512

Chain	Residue
A	ARG477
A	ASN478

---

site_id	AD4
Number of Residues	2
Details	binding site for residue EDO A 513

Chain	Residue
A	PRO253
A	ASP465

---

site_id	AD5
Number of Residues	1
Details	binding site for residue EDO A 514

Chain	Residue
A	LYS168

---

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO A 515

Chain	Residue
A	ARG331
A	ARG335
A	HOH613

---

site_id	AD7
Number of Residues	3
Details	binding site for residue EDO A 516

Chain	Residue
A	ASN174
A	GLU202
A	SER251

---

site_id	AD8
Number of Residues	4
Details	binding site for residue EDO A 517

Chain	Residue
A	SER282
A	PRO430
A	CYS432
A	HOH620

---

site_id	AD9
Number of Residues	4
Details	binding site for residue EDO A 518

Chain	Residue
A	LEU255
A	ALA257
A	VAL258
A	PHE259

---

site_id	AE1
Number of Residues	7
Details	binding site for residue EDO A 519

Chain	Residue
A	ARG203
A	ASP204
A	LEU205
A	THR208
A	ASP261
A	ILE264
A	HOH601

---

site_id	AE2
Number of Residues	4
Details	binding site for residue EDO A 520

Chain	Residue
A	THR208
A	ASP261
A	GLN330
A	EDO504

---

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

---