6W8I

Ternary complex structure - BTK cIAP compound 15

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004672	molecular_function	protein kinase activity
A	0004713	molecular_function	protein tyrosine kinase activity
A	0005524	molecular_function	ATP binding
A	0006468	biological_process	protein phosphorylation
B	0004672	molecular_function	protein kinase activity
B	0004713	molecular_function	protein tyrosine kinase activity
B	0005524	molecular_function	ATP binding
B	0006468	biological_process	protein phosphorylation
C	0004672	molecular_function	protein kinase activity
C	0004713	molecular_function	protein tyrosine 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	31
Details	binding site for residue TKY C 701

Chain	Residue
C	LYS406
C	GLU475
C	TYR476
C	MET477
C	ALA478
C	GLY480
C	CYS481
C	ASN484
C	LEU528
C	SER538
C	ASP539
C	VAL416
C	PHE540
C	LEU542
F	ASP303
F	GLY312
F	LEU313
F	ARG314
F	CYS315
F	TRP316
F	GLU317
F	ASP320
C	TYR418
F	GLU325
F	TRP329
C	ALA428
C	LYS430
C	MET449
C	LEU460
C	ILE472
C	THR474

---

site_id	AC2
Number of Residues	4
Details	binding site for residue ZN D 501

Chain	Residue
D	CYS306
D	CYS309
D	HIS326
D	CYS333

---

site_id	AC3
Number of Residues	25
Details	binding site for residue TKY D 502

Chain	Residue
A	LEU408
A	GLY409
A	VAL416
A	ALA428
A	LYS430
A	THR474
A	GLU475
A	TYR476
A	MET477
A	ASN479
A	GLY480
A	CYS481
A	ASN484
A	LEU528
A	ASP539
A	PHE540
A	LEU542
D	ASP303
D	GLY312
D	LEU313
D	ARG314
D	CYS315
D	ASP320
D	GLU325
D	TRP329

---

site_id	AC4
Number of Residues	4
Details	binding site for residue ZN E 501

Chain	Residue
E	CYS306
E	CYS309
E	HIS326
E	CYS333

---

site_id	AC5
Number of Residues	25
Details	binding site for residue TKY E 502

Chain	Residue
B	LYS406
B	LEU408
B	VAL416
B	TYR418
B	ASP426
B	ALA428
B	LYS430
B	MET449
B	THR474
B	GLU475
B	TYR476
B	MET477
B	GLY480
B	CYS481
B	LEU528
B	ASP539
B	PHE540
E	ASP303
E	GLY312
E	LEU313
E	ARG314
E	CYS315
E	TRP316
E	GLU325
E	TRP329

---

site_id	AC6
Number of Residues	4
Details	binding site for residue ZN F 501

Chain	Residue
F	CYS306
F	CYS309
F	HIS326
F	CYS333

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	23
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGTGQFGVVKyGkwrgqyd...........VAIK

Chain	Residue	Details
A	LEU408-LYS430

---

site_id	PS00109
Number of Residues	13
Details	PROTEIN_KINASE_TYR Tyrosine protein kinases specific active-site signature. FLHrDLAARNCLV

Chain	Residue	Details
A	PHE517-VAL529

---

site_id	PS01282
Number of Residues	68
Details	BIR_REPEAT_1 BIR repeat. HaaRmrtfmy.Wpssvpvqpeqlas.AGFyYvgrnDdvkCfcCdgglrcWesgddpwveHakwfPrCefL

Chain	Residue	Details
D	HIS269-LEU336

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING:

Chain	Residue	Details
D	CYS306
F	CYS309
F	HIS326
F	CYS333
D	CYS309
D	HIS326
D	CYS333
E	CYS306
E	CYS309
E	HIS326
E	CYS333
F	CYS306

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU408
A	LYS430
B	LEU408
B	LYS430
C	LEU408
C	LYS430

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:20052711, ECO:0007744|PDB:3K54, ECO:0007744|PDB:3OCT

Chain	Residue	Details
A	THR474
B	THR474
C	THR474

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269|PubMed:21280133, ECO:0007744|PDB:3PIY

Chain	Residue	Details
A	LEU542
B	LEU542
C	LEU542

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	MOD_RES: Phosphotyrosine; by LYN and SYK => ECO:0000269|PubMed:8630736, ECO:0000269|PubMed:9012831

Chain	Residue	Details
A	TYR551
B	TYR551
C	TYR551

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER604
B	SER604
C	SER604

---

site_id	SWS_FT_FI7
Number of Residues	3
Details	MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:15375214

Chain	Residue	Details
A	TYR617
B	TYR617
C	TYR617

---

site_id	SWS_FT_FI8
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0000269|PubMed:15375214

Chain	Residue	Details
A	SER623
B	SER623
C	SER623

---

site_id	SWS_FT_FI9
Number of Residues	3
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195

Chain	Residue	Details
A	SER659
B	SER659
C	SER659

---