2HYY

Human Abl kinase domain in complex with imatinib (STI571, Glivec)

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
D	0004672	molecular_function	protein kinase activity
D	0004713	molecular_function	protein tyrosine kinase activity
D	0005524	molecular_function	ATP binding
D	0006468	biological_process	protein phosphorylation

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE STI A 600

Chain	Residue
A	LEU248
A	PHE317
A	MET318
A	ILE360
A	HIS361
A	ALA380
A	ASP381
A	PHE382
A	TYR253
A	VAL256
A	ALA269
A	LYS271
A	GLU286
A	MET290
A	VAL299
A	THR315

---

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE STI B 600

Chain	Residue
B	HOH112
B	VAL256
B	ALA269
B	LYS271
B	GLU286
B	MET290
B	VAL299
B	ILE313
B	THR315
B	PHE317
B	MET318
B	ILE360
B	HIS361
B	ALA380
B	ASP381
B	PHE382

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE STI C 600

Chain	Residue
C	HOH38
C	HOH126
C	TYR253
C	ALA269
C	LYS271
C	GLU286
C	MET290
C	ILE293
C	VAL299
C	ILE313
C	THR315
C	MET318
C	ILE360
C	HIS361
C	LEU370
C	ALA380
C	ASP381
C	PHE382

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE STI D 600

Chain	Residue
D	HOH151
D	TYR253
D	ALA269
D	LYS271
D	GLU286
D	MET290
D	ILE293
D	VAL299
D	ILE313
D	THR315
D	PHE317
D	MET318
D	ILE360
D	HIS361
D	ALA380
D	ASP381
D	PHE382

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	24
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGGGQYGEVYeGvwkkyslt..........VAVK

Chain	Residue	Details
A	LEU248-LYS271

---

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

Chain	Residue	Details
A	PHE359-VAL371

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	72
Details	Motif: {"description":"Kinase activation loop"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"},{"source":"PROSITE-ProRule","id":"PRU10028","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	60
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	12
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis and SRC-type Tyr-kinases","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"P00520","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP363
A	ARG367

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP363
B	ARG367

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASP363
C	ARG367

---

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASP363
D	ARG367

---

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASP363
A	ALA365

---

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASP363
B	ALA365

---

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASP363
C	ALA365

---

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASP363
D	ALA365

---

site_id	CSA9
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
A	ASN368
A	ASP363
A	ALA365

---

site_id	CSA10
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
B	ASN368
B	ASP363
B	ALA365

---

site_id	CSA11
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
C	ASN368
C	ASP363
C	ALA365

---

site_id	CSA12
Number of Residues	3
Details	Annotated By Reference To The Literature 1ir3

Chain	Residue	Details
D	ASN368
D	ASP363
D	ALA365

---