4MYQ

Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33

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	14
Details	BINDING SITE FOR RESIDUE 19T A 701

Chain	Residue
A	TYR405
A	LYS677
A	HOH849
A	HOH867
A	HOH911
A	HOH967
A	SER454
A	ASN567
A	ILE582
A	PHE586
A	MET603
A	GLN615
A	PHE618
A	LEU674

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 702

Chain	Residue
A	ASP447
A	HOH817
A	HOH840
A	HOH844
A	HOH950
A	HOH969

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 703

Chain	Residue
A	HIS410
A	HIS446
A	ASP447
A	ASP564
A	HOH969

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE NA A 704

Chain	Residue
A	ASP397
A	TYR399
A	SER401
A	HOH871
A	HOH1040
A	HOH1041
A	HOH1043

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO A 705

Chain	Residue
A	LEU342
A	GLU343
A	ASN346

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO A 706

Chain	Residue
A	PHE381
A	ARG382
A	ASN497
A	GLN502
A	HOH1118
A	HOH1126

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 707

Chain	Residue
A	ALA429
A	VAL430
A	ARG552
A	HOH915

---

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	HIS446-PHE457

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:15003452, ECO:0007744|PDB:1ROR

Chain	Residue	Details
A	HIS406

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:15003452, ECO:0000269|PubMed:15260978, ECO:0007744|PDB:1ROR, ECO:0007744|PDB:1TB5

Chain	Residue	Details
A	HIS406
A	GLN615

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:15003452, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:15685167, ECO:0000269|PubMed:17727341, ECO:0000269|PubMed:18539455, ECO:0007744|PDB:1RO6, ECO:0007744|PDB:1RO9, ECO:0007744|PDB:1ROR, ECO:0007744|PDB:1TB5, ECO:0007744|PDB:1XLX, ECO:0007744|PDB:1XLZ, ECO:0007744|PDB:1XM4, ECO:0007744|PDB:1XM6, ECO:0007744|PDB:1XMU, ECO:0007744|PDB:1XMY, ECO:0007744|PDB:1XN0, ECO:0007744|PDB:1XOS, ECO:0007744|PDB:1XOT, ECO:0007744|PDB:1Y2H, ECO:0007744|PDB:1Y2J, ECO:0007744|PDB:2QYL, ECO:0007744|PDB:3D3P

Chain	Residue	Details
A	HIS410

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:10846163, ECO:0000269|PubMed:15003452, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:15685167, ECO:0000269|PubMed:17727341, ECO:0000269|PubMed:18539455, ECO:0007744|PDB:1F0J, ECO:0007744|PDB:1RO6, ECO:0007744|PDB:1RO9, ECO:0007744|PDB:1ROR, ECO:0007744|PDB:1XLX, ECO:0007744|PDB:1XLZ, ECO:0007744|PDB:1XM4, ECO:0007744|PDB:1XM6, ECO:0007744|PDB:1XMU, ECO:0007744|PDB:1XMY, ECO:0007744|PDB:1XN0, ECO:0007744|PDB:1XOS, ECO:0007744|PDB:1XOT, ECO:0007744|PDB:1Y2H, ECO:0007744|PDB:1Y2J, ECO:0007744|PDB:2QYL, ECO:0007744|PDB:3D3P

Chain	Residue	Details
A	HIS446

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:15003452, ECO:0007744|PDB:1ROR

Chain	Residue	Details
A	ASP447

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:10846163, ECO:0000269|PubMed:15003452, ECO:0000269|PubMed:15260978, ECO:0000269|PubMed:15576036, ECO:0000269|PubMed:15685167, ECO:0000269|PubMed:18539455, ECO:0007744|PDB:1F0J, ECO:0007744|PDB:1RO6, ECO:0007744|PDB:1RO9, ECO:0007744|PDB:1ROR, ECO:0007744|PDB:1TB5, ECO:0007744|PDB:1XLX, ECO:0007744|PDB:1XLZ, ECO:0007744|PDB:1XM4, ECO:0007744|PDB:1XM6, ECO:0007744|PDB:1XMU, ECO:0007744|PDB:1XMY, ECO:0007744|PDB:1XN0, ECO:0007744|PDB:1XOS, ECO:0007744|PDB:1XOT, ECO:0007744|PDB:1Y2H, ECO:0007744|PDB:1Y2J, ECO:0007744|PDB:3D3P

Chain	Residue	Details
A	ASP564

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	BINDING: BINDING => ECO:0000305|PubMed:15003452, ECO:0000305|PubMed:15260978, ECO:0007744|PDB:1ROR, ECO:0007744|PDB:1TB5

Chain	Residue	Details
A	PHE618

---

site_id	SWS_FT_FI8
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P14646

Chain	Residue	Details
A	SER659
A	SER661

---