5U06

Grb7-SH2 with bicyclic peptide inhibitor containing a pY mimetic

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0007165	biological_process	signal transduction
B	0007165	biological_process	signal transduction
C	0007165	biological_process	signal transduction
D	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue K B 601

Chain	Residue
A	SER437
A	ARG438
A	GLU439
B	GLU439
B	HOH718

---

site_id	AC2
Number of Residues	8
Details

Chain	Residue
L	GLU8
L	HOH102
P	1PA5
P	ASP6
A	ASP496
A	ASP497
L	PHE2
L	ASN7

---

site_id	AC3
Number of Residues	11
Details

Chain	Residue
A	HOH625
L	PHE2
L	ASP6
L	ASN7
L	48V9
L	HOH102
P	LYS1
P	1PA5
P	ASP6
P	ASN7
P	GLU8

---

site_id	AC4
Number of Residues	11
Details

Chain	Residue
A	ARG438
A	ARG458
A	SER460
A	VAL468
A	HIS479
L	PHE2
L	GLU3
L	ASP6
L	ASN7
L	HOH103
L	HOH104

---

site_id	AC5
Number of Residues	15
Details

Chain	Residue
A	ARG438
A	ARG458
A	SER460
A	VAL468
A	LYS478
A	HIS479
A	TYR480
L	PHE2
L	GLU3
L	GLY4
L	ASN7
L	GLU8
L	HOH101
L	HOH103
L	HOH104

---

site_id	AC6
Number of Residues	11
Details

Chain	Residue
A	ASP496
A	ASP497
A	HOH625
L	LYS1
L	ASP6
L	ASN7
P	LYS1
P	1PA5
P	ASP6
P	ASN7
P	GLU8

---

site_id	AC7
Number of Residues	8
Details

Chain	Residue
B	ASP497
B	HOH714
B	HOH721
C	ILE518
M	PHE2
M	ASN7
M	GLU8
N	GLU8

---

site_id	AC8
Number of Residues	9
Details

Chain	Residue
B	HOH709
B	HOH714
C	ILE518
M	PHE2
M	ASP6
M	ASN7
M	48V9
N	GLU8
N	48V9

---

site_id	AC9
Number of Residues	13
Details

Chain	Residue
B	ARG438
B	ARG458
B	SER460
B	ARG462
B	VAL468
M	PHE2
M	GLU3
M	ASP6
M	ASN7
M	HOH102
M	HOH104
N	LYS1
N	GLU8

---

site_id	AD1
Number of Residues	20
Details

Chain	Residue
B	TYR480
M	PHE2
M	GLU3
M	GLY4
M	ASN7
M	GLU8
M	HOH101
M	HOH102
M	HOH103
M	HOH104
N	LYS1
N	GLU8
B	ARG438
B	ARG458
B	SER460
B	ARG462
B	VAL468
B	LYS476
B	LYS478
B	HIS479

---

site_id	AD2
Number of Residues	10
Details

Chain	Residue
B	ASP497
B	HOH709
B	HOH721
C	ILE518
M	LYS1
M	PHE2
M	ASP6
M	ASN7
N	GLU8
N	48V9

---

site_id	AD3
Number of Residues	9
Details

Chain	Residue
M	LYS1
M	1PA5
M	ASP6
M	GLU8
M	HOH106
N	PHE2
N	ASP6
N	ASN7
N	48V9

---

site_id	AD4
Number of Residues	9
Details

Chain	Residue
C	ASP496
C	ASP497
M	1PA5
M	ASP6
M	GLU8
N	PHE2
N	ASN7
N	GLU8
N	HOH102

---

site_id	AD5
Number of Residues	10
Details

Chain	Residue
C	ARG438
C	ARG458
C	SER460
C	VAL468
D	HOH607
N	PHE2
N	GLU3
N	ASP6
N	ASN7
N	HOH101

---

site_id	AD6
Number of Residues	14
Details

Chain	Residue
C	ARG438
C	ARG458
C	SER460
C	VAL468
C	LYS478
C	HIS479
C	TYR480
D	HOH607
N	PHE2
N	GLU3
N	GLY4
N	ASN7
N	GLU8
N	HOH101

---

site_id	AD7
Number of Residues	10
Details

Chain	Residue
C	ASP496
C	ASP497
M	LYS1
M	1PA5
M	GLU8
M	HOH106
N	LYS1
N	ASP6
N	ASN7
N	HOH102

---

site_id	AD8
Number of Residues	7
Details

Chain	Residue
A	ILE518
D	HOH613
L	GLU8
P	PHE2
P	ASP6
P	ASN7
P	48V9

---

site_id	AD9
Number of Residues	7
Details

Chain	Residue
A	ILE518
D	ASP496
D	GLN499
L	GLU8
P	PHE2
P	ASN7
P	GLU8

---

site_id	AE1
Number of Residues	12
Details

Chain	Residue
D	ARG438
D	ARG458
D	SER460
D	VAL468
D	HIS479
L	LYS1
L	GLU8
P	PHE2
P	GLU3
P	ASP6
P	ASN7
P	HOH102

---

site_id	AE2
Number of Residues	19
Details

Chain	Residue
D	ARG438
D	ARG458
D	SER460
D	VAL468
D	LYS478
D	HIS479
D	TYR480
D	HOH621
L	LYS1
L	GLU8
P	PHE2
P	GLU3
P	GLY4
P	ASN7
P	GLU8
P	HOH102
P	HOH103
P	HOH104
P	HOH105

---

site_id	AE3
Number of Residues	7
Details

Chain	Residue
D	ASP496
D	GLN499
D	HOH613
L	GLU8
P	LYS1
P	ASP6
P	ASN7

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	SITE: Important for dimerization and for HRAS activation

Chain	Residue	Details
A	GLU488
B	GLU488
C	GLU488
D	GLU488

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