6WM1

Crystal structure of the Grb2 SH2 domain in complex with a tripeptide: Ac-pY-Ac6c-N-phenylpropyl

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	binding site for residue GOL C 201

Chain	Residue
A	SER75
A	LYS76
A	GLN77
A	ARG78
C	LEU120
C	TRP121
C	ARG142
D	ASN4

---

site_id	AC2
Number of Residues	4
Details	binding site for residue CA C 202

Chain	Residue
A	GLU152
C	HIS79
C	GLU152
A	HIS79

---

site_id	AC3
Number of Residues	6
Details	binding site for residue CL C 203

Chain	Residue
A	ASN103
C	TRP121
C	ARG142
C	HOH310
C	HOH356
D	ASN4

---

site_id	AC4
Number of Residues	3
Details	binding site for residue GOL D 101

Chain	Residue
C	ARG67
D	ACE1
D	PTR2

---

site_id	AC5
Number of Residues	5
Details	binding site for Ligand PRA E 5 bound to ASN E 4

Chain	Residue
A	LEU111
A	ASN143
B	PTR2
B	02K3
B	ASN4

---

site_id	AC6
Number of Residues	5
Details	binding site for Ligand PRA F 5 bound to ASN F 4

Chain	Residue
A	SER75
C	LEU111
D	PTR2
D	02K3
D	ASN4

---

site_id	AC7
Number of Residues	14
Details	binding site for residues ACE E 1 and PTR E 2

Chain	Residue
A	ARG67
A	ARG86
A	SER96
A	HIS107
A	PHE108
A	LYS109
A	ARG142
A	HOH216
A	HOH220
B	02K3
B	ASN4
B	PRA5
B	HOH102
B	HOH104

---

site_id	AC8
Number of Residues	16
Details	binding site for residues PTR E 2 and 02K E 3

Chain	Residue
A	ARG67
A	ARG86
A	SER96
A	HIS107
A	PHE108
A	LYS109
A	TRP121
A	ARG142
A	HOH216
B	ACE1
B	ASN4
B	PRA5
B	HOH101
B	HOH102
B	HOH103
B	HOH104

---

site_id	AC9
Number of Residues	11
Details	binding site for Di-peptide 02K E 3 and ASN E 4

Chain	Residue
A	HIS107
A	PHE108
A	LYS109
A	LEU120
A	TRP121
A	HOH243
B	ACE1
B	PTR2
B	PRA5
B	HOH101
B	HOH103

---

site_id	AD1
Number of Residues	13
Details	binding site for residues ACE F 1 and PTR F 2

Chain	Residue
C	ARG67
C	ARG86
C	SER88
C	SER90
C	SER96
C	HIS107
C	PHE108
C	LYS109
D	02K3
D	ASN4
D	PRA5
D	GOL101
D	HOH201

---

site_id	AD2
Number of Residues	16
Details	binding site for residues PTR F 2 and 02K F 3

Chain	Residue
D	GOL101
D	HOH201
A	ASN103
A	HOH215
A	HOH252
C	ARG67
C	ARG86
C	SER88
C	SER90
C	SER96
C	HIS107
C	PHE108
C	LYS109
D	ACE1
D	ASN4
D	PRA5

---

site_id	AD3
Number of Residues	12
Details	binding site for Di-peptide 02K F 3 and ASN F 4

Chain	Residue
A	SER75
A	ASN103
A	HOH215
A	HOH252
C	HIS107
C	PHE108
C	LYS109
C	LEU120
C	GOL201
C	CL203
D	PTR2
D	PRA5

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	184
Details	Domain: {"description":"SH2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"34348893","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---