5IA0

Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with alisertib (MLN8237)

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	16
Details	binding site for residue A5B A 1001

Chain	Residue
A	ILE619
A	LYS702
A	LEU746
A	SER756
A	HOH1110
A	HOH1157
A	HOH1171
A	HOH1182
A	ALA621
A	ALA644
A	LYS646
A	GLU663
A	TYR694
A	MET695
A	GLU696
A	GLY698

---

site_id	AC2
Number of Residues	2
Details	binding site for residue EDO A 1002

Chain	Residue
A	LYS617
A	TYR694

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 1003

Chain	Residue
A	ALA731
A	LYS863
A	PHE864
A	ALA865
A	HOH1106

---

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 1004

Chain	Residue
A	ASN750
A	HOH1258

---

site_id	AC5
Number of Residues	6
Details	binding site for residue EDO A 1005

Chain	Residue
A	GLN852
A	ARG860
A	PRO862
A	EDO1006
C	ASP888
C	ARG890

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO A 1006

Chain	Residue
A	ARG861
A	LYS863
A	ASP866
A	EDO1005

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO A 1007

Chain	Residue
A	HIS672
A	ALA725
A	LYS728
A	HOH1178
A	HOH1210

---

site_id	AC8
Number of Residues	17
Details	binding site for residue A5B B 1001

Chain	Residue
B	ILE619
B	ALA621
B	ALA644
B	LYS646
B	GLU663
B	TYR694
B	MET695
B	GLU696
B	GLY698
B	LYS702
B	ASN744
B	LEU746
B	SER756
B	HOH1153
B	HOH1157
B	HOH1164
B	HOH1222

---

site_id	AC9
Number of Residues	2
Details	binding site for residue EDO B 1002

Chain	Residue
B	ARG835
C	GLN616

---

site_id	AD1
Number of Residues	6
Details	binding site for residue EDO B 1003

Chain	Residue
A	GLN616
A	LYS617
B	ASN750
B	HOH1106
B	HOH1156
B	HOH1274

---

site_id	AD2
Number of Residues	5
Details	binding site for residue EDO B 1004

Chain	Residue
B	ARG705
B	ASP708
B	THR812
B	TYR813
B	HOH1176

---

site_id	AD3
Number of Residues	5
Details	binding site for residue EDO B 1005

Chain	Residue
B	GLU693
B	TYR694
B	MET695
B	GLU696
B	ASN748

---

site_id	AD4
Number of Residues	4
Details	binding site for residue EDO B 1006

Chain	Residue
B	ARG705
B	GLU706
B	HOH1115
B	HOH1125

---

site_id	AD5
Number of Residues	5
Details	binding site for residue EDO B 1007

Chain	Residue
B	PHE670
B	ARG677
B	LEU678
B	HOH1136
B	HOH1141

---

site_id	AD6
Number of Residues	2
Details	binding site for residue EDO B 1008

Chain	Residue
B	LYS617
B	ILE619

---

site_id	AD7
Number of Residues	4
Details	binding site for residue EDO B 1009

Chain	Residue
B	VAL601
B	LEU602
B	LYS603
B	PHE604

---

site_id	AD8
Number of Residues	5
Details	binding site for residue EDO B 1010

Chain	Residue
B	ALA731
B	LYS863
B	PHE864
B	ALA865
B	HOH1172

---

site_id	AD9
Number of Residues	18
Details	binding site for residue A5B C 1001

Chain	Residue
C	TYR694
C	MET695
C	GLU696
C	GLY698
C	LYS702
C	ARG743
C	ASN744
C	LEU746
C	SER756
C	EDO1003
C	HOH1101
C	HOH1120
C	HOH1134
C	HOH1194
C	ILE619
C	ALA621
C	ALA644
C	LYS646

---

site_id	AE1
Number of Residues	7
Details	binding site for residue EDO C 1002

Chain	Residue
C	PHE604
C	THR605
C	THR606
C	GLY668
C	LEU678
C	GLU679
C	GLY680

---

site_id	AE2
Number of Residues	6
Details	binding site for residue EDO C 1003

Chain	Residue
C	LYS617
C	ILE619
C	TYR694
C	A5B1001
C	HOH1121
C	HOH1134

---

site_id	AE3
Number of Residues	1
Details	binding site for residue EDO C 1004

Chain	Residue
C	ARG738

---

site_id	AE4
Number of Residues	5
Details	binding site for residue EDO C 1005

Chain	Residue
C	ALA731
C	LYS863
C	PHE864
C	ALA865
C	HOH1165

---

site_id	AE5
Number of Residues	3
Details	binding site for residue EDO C 1006

Chain	Residue
A	ASP888
C	GLN852
C	ARG860

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE619-LYS646

---

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

Chain	Residue	Details
A	TYR735-VAL747

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
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_FI2
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00159","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"18691976","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"UniProtKB","id":"Q03145","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---