3ZC6

Crystal structure of JAK3 kinase domain in complex with an indazole substituted pyrrolopyrazine inhibitor

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	20
Details	BINDING SITE FOR RESIDUE VFC A 2103

Chain	Residue
A	LEU828
A	MET902
A	GLU903
A	TYR904
A	LEU905
A	GLY908
A	ARG911
A	ASP912
A	LEU956
A	ASP967
A	HOH3009
A	GLY829
A	HOH3053
A	LYS830
A	GLY831
A	GLY834
A	SER835
A	VAL836
A	ALA853
A	LYS855

---

site_id	AC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE VFC B 2103

Chain	Residue
B	LEU828
B	GLY829
B	LYS830
B	GLY831
B	GLY834
B	SER835
B	VAL836
B	ALA853
B	LYS855
B	MET902
B	GLU903
B	LEU905
B	GLY908
B	LEU956
B	ASP967
B	PEG2105
B	HOH3007
B	HOH3045

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE VFC C 2103

Chain	Residue
C	LEU828
C	GLY829
C	LYS830
C	GLY831
C	GLY834
C	SER835
C	VAL836
C	ALA853
C	LYS855
C	MET902
C	GLU903
C	TYR904
C	LEU905
C	GLY908
C	CYS909
C	ARG911
C	ASP912
C	ASN954
C	LEU956
C	ASP967

---

site_id	AC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE VFC D 2103

Chain	Residue
D	LEU828
D	GLY829
D	LYS830
D	GLY831
D	GLY834
D	SER835
D	VAL836
D	ALA853
D	LYS855
D	MET902
D	GLU903
D	TYR904
D	LEU905
D	GLY908
D	ARG911
D	LEU956
D	ASP967

---

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE PEG A 2104

Chain	Residue
A	SER826

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PG4 C 2104

Chain	Residue
C	PHE913
C	ARG920
C	LEU921
C	ARG925
C	GLU960

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PG4 B 2104

Chain	Residue
B	ARG920
B	ARG925
B	GLU960

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 2105

Chain	Residue
A	PRO906
A	GLU958
A	HOH3051

---

site_id	AC9
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 2106

Chain	Residue
A	LEU851

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 2107

Chain	Residue
A	LYS823
A	ARG840
A	ASN847

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 2104

Chain	Residue
D	LEU851

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG B 2105

Chain	Residue
B	SER826
B	TYR904
B	PRO906
B	VFC2103

---

Functional Information from PROSITE/UniProt

site_id	PS00107
Number of Residues	28
Details	PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGNFGSVElCrydplgdntgal......VAVK

Chain	Residue	Details
A	LEU828-LYS855

---

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

Chain	Residue	Details
A	CYS945-VAL957

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00159, ECO:0000255|PROSITE-ProRule:PRU10028

Chain	Residue	Details
A	ASP949
B	ASP949
C	ASP949
D	ASP949

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00159

Chain	Residue	Details
A	LEU828
A	LYS855
B	LEU828
B	LYS855
C	LEU828
C	LYS855
D	LEU828
D	LYS855

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:18250158

Chain	Residue	Details
A	TYR904
A	TYR939
B	TYR904
B	TYR939
C	TYR904
C	TYR939
D	TYR904
D	TYR939

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:15831699

Chain	Residue	Details
A	PTR980
A	PTR981
B	PTR980
B	PTR981
C	PTR980
C	PTR981
D	PTR980
D	PTR981

---