6Z50

Crystal structure of CLK1 in complex with macrocycle ODS2003208

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	12
Details	binding site for residue Q7K A 501

Chain	Residue
A	LEU167
A	HOH717
A	HOH823
A	HOH908
A	GLY168
A	ALA189
A	PHE241
A	GLU242
A	LEU244
A	ASP250
A	ASN293
A	LEU295

---

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

Chain	Residue
A	VAL156
A	SER158
A	ALA159
A	ARG431
A	ALA432

---

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

Chain	Residue
A	SER158
A	ARG160
A	GLU229
A	PHE257
A	HOH821

---

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

Chain	Residue
A	LEU213
A	ASN214
A	ASP217
A	SER220
A	CYS224
A	VAL225
A	PHE278
A	HOH623

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO A 505

Chain	Residue
A	LEU243
A	LEU244
A	VAL297
A	GLN298
A	SER299

---

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

Chain	Residue
A	ASP288
A	SER328
A	SER341
A	THR342
A	HOH784
A	HOH906
A	HOH936

---

site_id	AC7
Number of Residues	3
Details	binding site for residue EDO A 507

Chain	Residue
A	GLU201
A	ARG204
A	SER205

---

site_id	AC8
Number of Residues	5
Details	binding site for residue EDO A 508

Chain	Residue
A	GLU232
A	HIS233
A	HIS234
A	LEU258
A	HOH635

---

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

Chain	Residue
A	PHE251
A	ASN255
A	LEU258
A	PRO259
A	PHE260

---

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

Chain	Residue
A	ARG465
A	GLU470
A	HOH650

---

site_id	AD2
Number of Residues	4
Details	binding site for residue EDO A 511

Chain	Residue
A	ASP332
A	GLN358
A	HOH608
A	HOH703

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO A 512

Chain	Residue
A	TRP419
A	ASP420
A	SER423
A	EDO515
A	HOH845

---

site_id	AD4
Number of Residues	5
Details	binding site for residue EDO A 513

Chain	Residue
A	ASP383
A	GLU386
A	ALA425
A	HOH610
A	HOH805

---

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO A 514

Chain	Residue
A	ARG223
A	LYS267
A	GLN271
A	HOH854

---

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

Chain	Residue
A	ASP418
A	ASP420
A	EDO512
A	HOH618

---

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

Chain	Residue
A	ARG261
A	ASP444
A	HIS447

---

site_id	AD8
Number of Residues	8
Details	binding site for residue EDO A 517

Chain	Residue
A	ARG343
A	ARG346
A	HIS382
A	SER384
A	HIS387
A	HOH605
A	HOH620
A	HOH811

---

site_id	AD9
Number of Residues	6
Details	binding site for residue GOL A 518

Chain	Residue
A	GLU162
A	HIS181
A	SER424
A	ALA425
A	TYR428
A	HOH691

---

site_id	AE1
Number of Residues	9
Details	binding site for residue GOL A 519

Chain	Residue
A	ASP333
A	ASP333
A	GLU334
A	GLU334
A	HOH601
A	HOH647
A	HOH647
A	ASP332
A	ASP332

---

site_id	AE2
Number of Residues	7
Details	binding site for residue NA A 520

Chain	Residue
A	GLU446
A	ARG449
A	PRO475
A	PHE476
A	ASP478
A	LEU479
A	HOH822

---

site_id	AE3
Number of Residues	9
Details	binding site for residue EDO A 521

Chain	Residue
A	ARG393
A	GLU421
A	GLU421
A	HIS422
A	HIS422
A	SER430
A	SER430
A	HOH641
A	HOH641

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	LEU167-LYS191

---

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

Chain	Residue	Details
A	LEU284-PHE296

---

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

---