6Z52

Crystal structure of CLK3 in complex with macrocycle ODS2003136

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue EDO A 501

Chain	Residue
A	TRP225
A	IOD507
A	HOH676
B	LYS206
B	TRP225
B	IOD510

---

site_id	AC2
Number of Residues	4
Details	binding site for residue EDO A 502

Chain	Residue
A	LYS248
A	ASN242
A	PHE244
A	GLU245

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 503

Chain	Residue
A	ARG451
A	GLU454
A	GLN459
A	ARG460
A	ILE461

---

site_id	AC4
Number of Residues	3
Details	binding site for residue EDO A 504

Chain	Residue
A	ARG402
A	HOH776
A	HOH791

---

site_id	AC5
Number of Residues	3
Details	binding site for residue EDO A 505

Chain	Residue
A	ARG199
A	TRP225
B	ARG199

---

site_id	AC6
Number of Residues	1
Details	binding site for residue CL A 506

Chain	Residue
A	TRP414

---

site_id	AC7
Number of Residues	1
Details	binding site for residue IOD A 507

Chain	Residue
A	EDO501

---

site_id	AC8
Number of Residues	1
Details	binding site for residue IOD A 508

Chain	Residue
A	LYS405

---

site_id	AC9
Number of Residues	3
Details	binding site for residue CL A 509

Chain	Residue
A	HIS143
A	LEU144
A	ILE187

---

site_id	AD1
Number of Residues	1
Details	binding site for residue IOD A 511

Chain	Residue
A	GLN375

---

site_id	AD2
Number of Residues	1
Details	binding site for residue IOD A 512

Chain	Residue
A	HOH663

---

site_id	AD3
Number of Residues	2
Details	binding site for residue IOD A 513

Chain	Residue
A	ARG131
A	GLN153

---

site_id	AD4
Number of Residues	3
Details	binding site for residue IOD A 514

Chain	Residue
A	ASN203
B	ASN227
B	HOH716

---

site_id	AD5
Number of Residues	14
Details	binding site for residue Q8T A 515

Chain	Residue
A	LEU162
A	PHE167
A	VAL170
A	ALA184
A	GLU237
A	LEU239
A	ASN242
A	GLU245
A	GLU287
A	ASN288
A	LEU290
A	ASP320
A	HOH691
A	HOH737

---

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO B 501

Chain	Residue
B	LYS248
B	PHE252
B	HOH612

---

site_id	AD7
Number of Residues	2
Details	binding site for residue EDO B 502

Chain	Residue
B	CYS146
B	ASN161

---

site_id	AD8
Number of Residues	5
Details	binding site for residue EDO B 503

Chain	Residue
B	ASN242
B	PHE244
B	GLU245
B	LYS248
B	Q8T515

---

site_id	AD9
Number of Residues	6
Details	binding site for residue EDO B 504

Chain	Residue
B	GLU378
B	ARG380
B	GLU381
B	TRP414
B	ASP415
B	SER418

---

site_id	AE1
Number of Residues	3
Details	binding site for residue EDO B 505

Chain	Residue
B	ARG402
B	HOH779
B	HOH842

---

site_id	AE2
Number of Residues	1
Details	binding site for residue CL B 506

Chain	Residue
B	HOH713

---

site_id	AE3
Number of Residues	2
Details	binding site for residue IOD B 507

Chain	Residue
B	ARG131
B	GLN153

---

site_id	AE4
Number of Residues	3
Details	binding site for residue CL B 508

Chain	Residue
B	HIS143
B	LEU144
B	ILE187

---

site_id	AE5
Number of Residues	2
Details	binding site for residue IOD B 509

Chain	Residue
B	HOH752
B	HOH785

---

site_id	AE6
Number of Residues	2
Details	binding site for residue IOD B 510

Chain	Residue
A	EDO501
B	SER223

---

site_id	AE7
Number of Residues	2
Details	binding site for residue IOD B 511

Chain	Residue
B	TRP414
B	HOH860

---

site_id	AE8
Number of Residues	1
Details	binding site for residue IOD B 512

Chain	Residue
B	GLN375

---

site_id	AE9
Number of Residues	1
Details	binding site for residue IOD B 513

Chain	Residue
B	LYS405

---

site_id	AF1
Number of Residues	4
Details	binding site for residue IOD B 514

Chain	Residue
A	GLN153
A	ASN227
B	ASN203
B	LYS206

---

site_id	AF2
Number of Residues	15
Details	binding site for residue Q8T B 515

Chain	Residue
B	HOH720
B	LEU162
B	GLU164
B	PHE167
B	ALA184
B	PHE236
B	GLU237
B	LEU239
B	ASN242
B	GLU287
B	ASN288
B	LEU290
B	EDO503
B	HOH604
B	HOH701

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	25
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGEGTFGKVVeCldhargksq.........VALK

Chain	Residue	Details
A	LEU162-LYS186

---

site_id	PS00108
Number of Residues	13
Details	PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. LtHtDLKpeNILF

Chain	Residue	Details
A	LEU279-PHE291

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	632
Details	Domain: {"description":"Protein kinase","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10027","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---