5EEL

Grb7 SH2 with bicyclic peptide inhibitor

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
E	0007165	biological_process	signal transduction
F	0007165	biological_process	signal transduction

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue MLA A 601

Chain	Residue
A	ARG438
A	ARG458
A	SER460
A	GLN461
A	ARG462
A	VAL468
M	TYR5

---

site_id	AC2
Number of Residues	5
Details	binding site for residue FMT A 602

Chain	Residue
A	GLY517
A	ILE518
A	NA603
A	MET495
A	HIS512

---

site_id	AC3
Number of Residues	4
Details	binding site for residue NA A 603

Chain	Residue
A	MET495
A	THR500
A	PHE502
A	FMT602

---

site_id	AC4
Number of Residues	5
Details	binding site for residue FMT B 601

Chain	Residue
B	THR500
B	HIS512
B	GLY517
B	ILE518
B	NA602

---

site_id	AC5
Number of Residues	4
Details	binding site for residue NA B 602

Chain	Residue
B	MET495
B	THR500
B	PHE502
B	FMT601

---

site_id	AC6
Number of Residues	7
Details	binding site for residue MLA C 601

Chain	Residue
C	ARG438
C	ARG458
C	SER460
C	GLN461
C	ARG462
C	VAL468
P	TYR5

---

site_id	AC7
Number of Residues	5
Details	binding site for residue FMT C 602

Chain	Residue
C	THR500
C	HIS512
C	GLY517
C	ILE518
C	NA603

---

site_id	AC8
Number of Residues	4
Details	binding site for residue NA C 603

Chain	Residue
C	MET495
C	ASP496
C	THR500
C	FMT602

---

site_id	AC9
Number of Residues	7
Details	binding site for residue MLA D 601

Chain	Residue
D	ARG438
D	ARG458
D	SER460
D	GLN461
D	ARG462
D	VAL468
Q	TYR5

---

site_id	AD1
Number of Residues	5
Details	binding site for residue FMT D 602

Chain	Residue
D	MET495
D	THR500
D	HIS512
D	ILE518
D	NA603

---

site_id	AD2
Number of Residues	4
Details	binding site for residue NA D 603

Chain	Residue
D	MET495
D	THR500
D	PHE502
D	FMT602

---

site_id	AD3
Number of Residues	7
Details	binding site for residue MLA E 601

Chain	Residue
E	ARG438
E	ARG458
E	SER460
E	GLN461
E	ARG462
E	VAL468
R	TYR5

---

site_id	AD4
Number of Residues	5
Details	binding site for residue FMT E 602

Chain	Residue
E	THR500
E	HIS512
E	GLY517
E	ILE518
E	NA603

---

site_id	AD5
Number of Residues	4
Details	binding site for residue NA E 603

Chain	Residue
E	MET495
E	THR500
E	PHE502
E	FMT602

---

site_id	AD6
Number of Residues	7
Details	binding site for residue MLA F 601

Chain	Residue
F	ARG438
F	ARG458
F	SER460
F	GLN461
F	ARG462
F	VAL468
L	TYR5

---

site_id	AD7
Number of Residues	5
Details	binding site for residue FMT F 602

Chain	Residue
F	THR500
F	HIS512
F	GLY517
F	ILE518
F	NA603

---

site_id	AD8
Number of Residues	4
Details	binding site for residue NA F 603

Chain	Residue
F	MET495
F	THR500
F	PHE502
F	FMT602

---

site_id	AD9
Number of Residues	9
Details	binding site for Ligand residues AEA L 9 through 73C L 8 bound to SER L 1

Chain	Residue
F	ASP497
F	ILE518
L	SER1
L	PHE2
L	TYR5
L	ASP6
L	ASN7
L	HOH101
L	HOH103

---

site_id	AE1
Number of Residues	7
Details	binding site for Ligand 73C L 8 bound to SER L 1

Chain	Residue
F	ILE518
L	SER1
L	ASP6
L	ASN7
L	AEA9
L	HOH103
F	ASP497

---

site_id	AE2
Number of Residues	7
Details	binding site for Ligand 73C L 8 bound to ASN L 7

Chain	Residue
F	ASP497
F	ILE518
L	SER1
L	ASP6
L	ASN7
L	AEA9
L	HOH103

---

site_id	AE3
Number of Residues	5
Details	binding site for Ligand residues AEA M 9 through 73C M 8 bound to SER M 1

Chain	Residue
M	SER1
M	PHE2
M	TYR5
M	ASP6
M	ASN7

---

site_id	AE4
Number of Residues	4
Details	binding site for Ligand 73C M 8 bound to SER M 1

Chain	Residue
M	SER1
M	ASP6
M	ASN7
M	AEA9

---

site_id	AE5
Number of Residues	4
Details	binding site for Ligand 73C M 8 bound to ASN M 7

Chain	Residue
M	SER1
M	ASP6
M	ASN7
M	AEA9

---

site_id	AE6
Number of Residues	7
Details	binding site for Ligand residues AEA N 9 through 73C N 8 bound to SER N 1

Chain	Residue
B	HOH707
N	SER1
N	PHE2
N	TYR5
N	ASP6
N	ASN7
N	HOH101

---

site_id	AE7
Number of Residues	5
Details	binding site for Ligand 73C N 8 bound to SER N 1

Chain	Residue
B	HOH707
N	SER1
N	ASP6
N	ASN7
N	AEA9

---

site_id	AE8
Number of Residues	5
Details	binding site for Ligand 73C N 8 bound to ASN N 7

Chain	Residue
B	HOH707
N	SER1
N	ASP6
N	ASN7
N	AEA9

---

site_id	AE9
Number of Residues	4
Details	binding site for Ligand 73C P 8 bound to SER P 1

Chain	Residue
P	SER1
P	PHE2
P	ASP6
P	ASN7

---

site_id	AF1
Number of Residues	4
Details	binding site for Ligand 73C P 8 bound to ASN P 7

Chain	Residue
P	SER1
P	PHE2
P	ASP6
P	ASN7

---

site_id	AF2
Number of Residues	5
Details	binding site for Ligand residues 73C Q 8 through AEA Q 9 bound to SER Q 1

Chain	Residue
Q	SER1
Q	PHE2
Q	TYR5
Q	ASP6
Q	ASN7

---

site_id	AF3
Number of Residues	6
Details	binding site for Ligand AEA Q 9 bound to SER Q 1

Chain	Residue
Q	SER1
Q	PHE2
Q	TYR5
Q	ASP6
Q	ASN7
Q	73C8

---

site_id	AF4
Number of Residues	5
Details	binding site for Ligand 73C Q 8 bound to ASN Q 7

Chain	Residue
Q	SER1
Q	PHE2
Q	ASP6
Q	ASN7
Q	AEA9

---

site_id	AF5
Number of Residues	10
Details	binding site for Ligand residues 73C R 8 through AEA R 9 bound to SER R 1

Chain	Residue
B	ARG427
B	THR428
B	ARG529
E	LYS478
E	HOH702
R	SER1
R	PHE2
R	ASP6
R	ASN7
R	HOH101

---

site_id	AF6
Number of Residues	10
Details	binding site for Ligand AEA R 9 bound to SER R 1

Chain	Residue
B	ARG427
B	THR428
B	ARG529
E	LYS478
R	SER1
R	PHE2
R	ASP6
R	ASN7
R	73C8
R	HOH101

---

site_id	AF7
Number of Residues	6
Details	binding site for Ligand 73C R 8 bound to ASN R 7

Chain	Residue
B	THR428
E	HOH702
R	SER1
R	ASP6
R	ASN7
R	AEA9

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	SITE: Important for dimerization and for HRAS activation

Chain	Residue	Details
A	PHE511
B	PHE511
C	PHE511
D	PHE511
E	PHE511
F	PHE511

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