6WO2

Crystal Structure of the Grb2 SH2 Domain in Complex with a Tripeptide: Ac-pY-Ac6c-N-isohexyl

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	binding site for residue CA A 201

Chain	Residue
A	HIS79
A	GLU152
B	HIS79
B	ARG149
B	GLU152

---

site_id	AC2
Number of Residues	5
Details	binding site for residue IPA A 202

Chain	Residue
C	HOH101
A	VAL105
A	GLN106
A	VAL122
C	02K3

---

site_id	AC3
Number of Residues	6
Details	binding site for residue NA B 201

Chain	Residue
B	GLU54
B	MET55
B	HIS58
B	HOH301
B	HOH305
B	HOH330

---

site_id	AC4
Number of Residues	3
Details	binding site for residue IPA B 202

Chain	Residue
B	GLU54
B	HIS58
B	ASP150

---

site_id	AC5
Number of Residues	6
Details	binding site for Ligand U67 E 5 bound to ASN E 4

Chain	Residue
A	GLU89
A	LYS109
A	THR138
C	PTR2
C	02K3
C	ASN4

---

site_id	AC6
Number of Residues	6
Details	binding site for Ligand U67 F 5 bound to ASN F 4

Chain	Residue
A	GLU72
A	SER75
A	LYS76
D	PTR2
D	02K3
D	ASN4

---

site_id	AC7
Number of Residues	13
Details	binding site for residues ACE E 1 and PTR E 2

Chain	Residue
A	ARG67
A	ARG86
A	SER88
A	SER90
A	SER96
A	HIS107
A	LYS109
A	TRP121
A	ARG142
C	02K3
C	ASN4
C	U675
C	HOH101

---

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	SER88
A	SER90
A	SER90
A	SER96
A	GLN106
A	HIS107
A	PHE108
A	LYS109
A	TRP121
A	ARG142
A	IPA202
C	ACE1
C	ASN4
C	U675

---

site_id	AC9
Number of Residues	10
Details	binding site for Di-peptide 02K E 3 and ASN E 4

Chain	Residue
A	SER90
A	GLN106
A	HIS107
A	PHE108
A	LYS109
A	LEU120
A	TRP121
A	IPA202
C	PTR2
C	U675

---

site_id	AD1
Number of Residues	14
Details	binding site for residues ACE F 1 and PTR F 2

Chain	Residue
A	SER75
B	ARG67
B	ARG86
B	SER88
B	GLU89
B	SER90
B	SER96
B	HIS107
B	LYS109
B	HOH317
D	02K3
D	ASN4
D	U675
D	HOH102

---

site_id	AD2
Number of Residues	18
Details	binding site for residues PTR F 2 and 02K F 3

Chain	Residue
D	U675
D	HOH101
D	HOH102
A	SER75
A	ASN103
A	ASP104
B	ARG67
B	ARG86
B	SER88
B	GLU89
B	SER90
B	SER96
B	GLN106
B	HIS107
B	PHE108
B	LYS109
D	ACE1
D	ASN4

---

site_id	AD3
Number of Residues	14
Details	binding site for Di-peptide 02K F 3 and ASN F 4

Chain	Residue
A	SER75
A	ARG78
A	ASN103
A	ASP104
B	GLN106
B	HIS107
B	PHE108
B	LYS109
B	LEU111
B	LEU120
B	TRP121
D	PTR2
D	U675
D	HOH101

---

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

---