6YU1

CLK3 bound with beta-carboline KH-CARB13 (Cpd 3)

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
c	0004672	molecular_function	protein kinase activity
c	0005524	molecular_function	ATP binding
c	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue EDO a 501

Chain	Residue
a	HIS331
a	GLY350
a	TRP351
a	HOH662

---

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

Chain	Residue
a	GLU387
a	ILE393
a	GLY410
a	GLY411
a	LEU412

---

site_id	AC3
Number of Residues	4
Details	binding site for residue PO4 a 503

Chain	Residue
a	HIS330
a	THR332
a	THR333
c	THR333

---

site_id	AC4
Number of Residues	6
Details	binding site for residue PO4 a 504

Chain	Residue
a	ARG189
a	ARG189
a	LYS193
a	LYS193
a	TYR194
a	TYR194

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO a 505

Chain	Residue
a	ILE393
a	PRO394
a	SER395
a	HOH727

---

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

Chain	Residue
a	GLU137
a	ASP138
a	ARG341
a	HOH634

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO a 507

Chain	Residue
a	ASP447
a	HIS469
a	PRO470
a	HOH609
c	HOH724

---

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

Chain	Residue
a	ARG402
a	LYS403
a	LYS405
c	HOH712

---

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

Chain	Residue
a	HIS259
a	VAL311
a	LYS312

---

site_id	AD1
Number of Residues	11
Details	binding site for residue KHC a 510

Chain	Residue
a	LEU162
a	VAL170
a	ALA184
a	PHE236
a	LEU238
a	LEU239
a	GLY240
a	LYS241
a	ASN242
a	GLU245
a	LEU290

---

site_id	AD2
Number of Residues	8
Details	binding site for residue EDO c 501

Chain	Residue
c	LEU412
c	VAL413
c	VAL413
c	TRP414
c	TRP414
c	HOH622
c	HOH622
c	HOH659

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO c 502

Chain	Residue
c	SER125
c	MET126
c	GLU157
c	HOH620
c	HOH667

---

site_id	AD4
Number of Residues	8
Details	binding site for residue PG4 c 503

Chain	Residue
a	HIS328
a	HOH709
c	ASN379
c	ARG402
c	LYS403
c	LYS405
c	TYR406
c	HOH649

---

site_id	AD5
Number of Residues	6
Details	binding site for residue PO4 c 504

Chain	Residue
c	ARG189
c	ARG189
c	LYS193
c	LYS193
c	TYR194
c	TYR194

---

site_id	AD6
Number of Residues	6
Details	binding site for residue PG4 c 505

Chain	Residue
a	ASN190
a	GLY192
a	ARG195
c	ASN190
c	GLY192
c	ARG195

---

site_id	AD7
Number of Residues	5
Details	binding site for residue EDO c 506

Chain	Residue
c	CYS146
c	ARG147
c	THR337
c	HIS339
c	HOH608

---

site_id	AD8
Number of Residues	7
Details	binding site for residue EDO c 507

Chain	Residue
c	GLU387
c	LYS388
c	GLU416
c	GLU416
c	HOH615
c	HOH626
c	HOH746

---

site_id	AD9
Number of Residues	7
Details	binding site for residue EDO c 508

Chain	Residue
c	TRP151
c	HOH601
c	HOH616
c	SER132
c	SER135
c	VAL145
c	ASP150

---

site_id	AE1
Number of Residues	4
Details	binding site for residue EDO c 509

Chain	Residue
c	GLY350
c	PRO457
c	HOH707
c	HOH725

---

site_id	AE2
Number of Residues	4
Details	binding site for residue EDO c 510

Chain	Residue
c	ARG451
c	GLN459
c	ARG460
c	GLU465

---

site_id	AE3
Number of Residues	4
Details	binding site for residue EDO c 511

Chain	Residue
c	GLN444
c	PRO470
c	HOH650
c	HOH719

---

site_id	AE4
Number of Residues	6
Details	binding site for residue EDO c 512

Chain	Residue
c	ARG147
c	PHE244
c	PRO286
c	GLU287
c	TYR340
c	EDO513

---

site_id	AE5
Number of Residues	6
Details	binding site for residue EDO c 513

Chain	Residue
c	CYS146
c	ARG147
c	ILE148
c	PHE244
c	EDO512
c	EDO516

---

site_id	AE6
Number of Residues	5
Details	binding site for residue EDO c 514

Chain	Residue
a	ASP327
c	HIS399
c	THR401
c	ARG402
c	HOH648

---

site_id	AE7
Number of Residues	6
Details	binding site for residue EDO c 515

Chain	Residue
c	GLU387
c	ILE398
c	GLY410
c	GLY411
c	LEU412
c	ASN417

---

site_id	AE8
Number of Residues	5
Details	binding site for residue EDO c 516

Chain	Residue
c	CYS146
c	ASN161
c	GLU164
c	LYS169
c	EDO513

---

site_id	AE9
Number of Residues	4
Details	binding site for residue EDO c 517

Chain	Residue
c	HIS331
c	GLY350
c	TRP351
c	HOH686

---

site_id	AF1
Number of Residues	7
Details	binding site for residue EDO c 518

Chain	Residue
c	PHE371
c	THR372
c	LEU373
c	GLN375
c	ASN427
c	CYS428
c	TYR434

---

site_id	AF2
Number of Residues	11
Details	binding site for residue KHC c 519

Chain	Residue
c	LEU162
c	VAL170
c	ALA184
c	LYS186
c	PHE236
c	LEU238
c	LEU239
c	GLY240
c	LYS241
c	ASN242
c	LEU290

---

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	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_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
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

---