6Z51

Crystal structure of CLK3 in complex with macrocycle ODS2002941

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue PO4 A 501

Chain	Residue
A	ARG195
A	ARG199
A	LYS403
A	LYS405
A	HOH744

---

site_id	AC2
Number of Residues	7
Details	binding site for residue EDO A 502

Chain	Residue
A	HOH616
A	HOH640
A	HOH777
A	LEU412
A	VAL413
A	TRP414
A	GLU416

---

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

Chain	Residue
A	GLU381
A	TRP414
A	ASP415
A	SER418
A	HOH626

---

site_id	AC4
Number of Residues	7
Details	binding site for residue EDO A 504

Chain	Residue
A	GLN375
A	HIS399
A	THR401
A	HOH605
A	HOH655
A	HOH718
A	HOH803

---

site_id	AC5
Number of Residues	9
Details	binding site for residue EDO A 505

Chain	Residue
A	HIS330
A	HIS331
A	LYS425
A	EDO506
A	HOH602
A	HOH624
A	HOH649
A	HOH669
A	HOH886

---

site_id	AC6
Number of Residues	7
Details	binding site for residue EDO A 506

Chain	Residue
A	HIS331
A	GLY350
A	TRP351
A	ARG422
A	LYS425
A	EDO505
A	HOH674

---

site_id	AC7
Number of Residues	7
Details	binding site for residue EDO A 507

Chain	Residue
A	ALA352
A	ASN417
A	SER419
A	PRO457
A	HOH613
A	HOH628
A	HOH711

---

site_id	AC8
Number of Residues	4
Details	binding site for residue EDO A 508

Chain	Residue
A	GLU348
A	ARG402
A	GLU426
A	ASN427

---

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

Chain	Residue
A	ASP447
A	ARG451
A	GLU454

---

site_id	AD1
Number of Residues	6
Details	binding site for residue EDO A 510

Chain	Residue
A	GLU137
A	ASP138
A	SER418
A	SER419
A	ASP420
A	HOH638

---

site_id	AD2
Number of Residues	5
Details	binding site for residue EDO A 511

Chain	Residue
A	VAL145
A	CYS146
A	ARG147
A	ASP150
A	HOH679

---

site_id	AD3
Number of Residues	4
Details	binding site for residue EDO A 512

Chain	Residue
A	ASN313
A	THR314
A	GLU479
A	HOH825

---

site_id	AD4
Number of Residues	6
Details	binding site for residue EDO A 513

Chain	Residue
A	HIS330
A	THR332
A	THR333
A	HOH607
A	HOH826
A	HOH904

---

site_id	AD5
Number of Residues	10
Details	binding site for residue EDO A 514

Chain	Residue
A	PHE371
A	THR372
A	LEU373
A	ILE389
A	CYS428
A	TYR434
A	HOH605
A	HOH620
A	HOH736
A	HOH768

---

site_id	AD6
Number of Residues	4
Details	binding site for residue EDO A 515

Chain	Residue
A	GLU387
A	LYS388
A	GLY391
A	HOH694

---

site_id	AD7
Number of Residues	4
Details	binding site for residue EDO A 516

Chain	Residue
A	LYS140
A	PRO394
A	SER395
A	HIS396

---

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

Chain	Residue
A	LYS432
A	ARG450
A	HOH680
A	HOH694

---

site_id	AD9
Number of Residues	3
Details	binding site for residue EDO A 518

Chain	Residue
A	HOH758
A	ASP447
A	HIS469

---

site_id	AE1
Number of Residues	17
Details	binding site for residue Q8B A 519

Chain	Residue
A	LEU162
A	GLY163
A	GLU164
A	PHE167
A	ALA184
A	GLU237
A	LEU239
A	ASN242
A	GLU287
A	ASN288
A	LEU290
A	ASP320
A	HOH652
A	HOH705
A	HOH756
A	HOH812
A	HOH818

---

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	316
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	1
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	9
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---