6Z54

Crystal structure of CLK3 in complex with macrocycle ODS2003178

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	8
Details	binding site for residue EDO A 501

Chain	Residue
A	THR372
A	GLN375
A	HIS399
A	THR401
A	HOH606
A	HOH637
A	HOH699
A	HOH808

---

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

Chain	Residue
A	GLY350
A	TRP351
A	ARG422
A	LYS425
A	EDO513
A	HOH681
A	HIS331

---

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

Chain	Residue
A	SER419
A	PRO457
A	HOH610
A	HOH623
A	HOH688

---

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

Chain	Residue
A	LEU412
A	VAL413
A	TRP414
A	GLU416
A	HOH616
A	HOH663
A	HOH738

---

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

Chain	Residue
A	GLU381
A	TRP414
A	ASP415
A	SER418
A	HOH629

---

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

Chain	Residue
A	ASP447
A	ARG450
A	ARG451
A	GLU454

---

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

Chain	Residue
A	VAL145
A	ARG147
A	ASP150
A	HOH706

---

site_id	AC8
Number of Residues	3
Details	binding site for residue EDO A 508

Chain	Residue
A	ARG189
A	LYS193
A	TYR194

---

site_id	AC9
Number of Residues	8
Details	binding site for residue EDO A 509

Chain	Residue
A	THR372
A	LEU373
A	ILE389
A	CYS428
A	TYR434
A	HOH606
A	HOH614
A	HOH652

---

site_id	AD1
Number of Residues	5
Details	binding site for residue EDO A 510

Chain	Residue
A	LYS140
A	PRO394
A	SER395
A	HIS396
A	HOH810

---

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

Chain	Residue
A	LYS432
A	ARG450
A	HOH603
A	HOH626
A	HOH712

---

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

Chain	Residue
A	GLU387
A	LYS388
A	HOH603
A	HOH657

---

site_id	AD4
Number of Residues	9
Details	binding site for residue EDO A 513

Chain	Residue
A	HIS330
A	HIS331
A	LYS425
A	EDO502
A	HOH613
A	HOH619
A	HOH644
A	HOH658
A	HOH937

---

site_id	AD5
Number of Residues	5
Details	binding site for residue PO4 A 514

Chain	Residue
A	ARG195
A	ARG199
A	LYS403
A	LYS405
A	HOH722

---

site_id	AD6
Number of Residues	14
Details	binding site for residue Q7H A 515

Chain	Residue
A	LEU162
A	PHE167
A	ALA184
A	PHE236
A	GLU237
A	LEU239
A	ASN242
A	GLU245
A	GLU287
A	ASN288
A	LEU290
A	ASP320
A	HOH691
A	HOH721

---

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	1
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10027

Chain	Residue	Details
A	LEU431

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	ILE334
A	SER310

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18669648

Chain	Residue	Details
A	ARG155

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	GLU157

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	ARG199
A	ALA197

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231

Chain	Residue	Details
A	ASN215

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231

Chain	Residue	Details
A	PHE226
A	ASP224

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	ASP283

---