7MPH

GRB2 SH2 Domain with Compound 7

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue ZLY A 201

Chain	Residue
A	SER96
F	GLY114
F	ALA115
A	GLN106
A	HIS107
A	PHE108
A	LYS109
A	LEU120
A	TRP121
A	EDO202
A	HOH309

---

site_id	AC2
Number of Residues	7
Details	binding site for residue EDO A 202

Chain	Residue
A	TRP121
A	ZLY201
A	HOH305
A	HOH308
C	PHE119
C	TRP121
C	LYS124

---

site_id	AC3
Number of Residues	5
Details	binding site for residue SO4 A 203

Chain	Residue
A	SER127
A	ASN129
A	GLU130
E	ASN103
E	LYS117

---

site_id	AC4
Number of Residues	6
Details	binding site for residue SO4 A 204

Chain	Residue
A	TRP121
A	VAL122
A	VAL123
A	TYR134
A	HIS135
A	HOH302

---

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 A 205

Chain	Residue
A	ARG86
A	SER88
A	GLU89
A	SER90
F	SER127

---

site_id	AC6
Number of Residues	12
Details	binding site for residue ZLY B 201

Chain	Residue
B	SER96
B	GLN106
B	HIS107
B	PHE108
B	LYS109
B	LEU111
B	LEU120
B	TRP121
B	HOH308
C	GLY114
C	ALA115
F	EDO205

---

site_id	AC7
Number of Residues	1
Details	binding site for residue EDO B 202

Chain	Residue
B	ARG149

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 B 203

Chain	Residue
B	SER127
B	ASN129
D	LYS117

---

site_id	AC9
Number of Residues	2
Details	binding site for residue SO4 B 204

Chain	Residue
B	ASN126
B	GLU130

---

site_id	AD1
Number of Residues	7
Details	binding site for residue SO4 B 205

Chain	Residue
B	TRP121
B	VAL122
B	VAL123
B	TYR134
B	HIS135
B	ARG142
B	HOH313

---

site_id	AD2
Number of Residues	6
Details	binding site for residue SO4 B 206

Chain	Residue
B	ARG86
B	SER88
B	GLU89
B	SER90
C	SER127
C	HOH314

---

site_id	AD3
Number of Residues	17
Details	binding site for residue ZLY C 201

Chain	Residue
A	ARG112
A	ASP113
A	GLY114
A	PHE119
A	LYS124
C	SER96
C	HIS107
C	PHE108
C	LYS109
C	LEU111
C	LEU120
C	TRP121
C	HOH312
F	SER90
F	ALA91
F	GLY93
F	EDO204

---

site_id	AD4
Number of Residues	5
Details	binding site for residue EDO C 202

Chain	Residue
B	PRO92
C	GLU87
C	HOH305
D	TRP60
D	ASN129

---

site_id	AD5
Number of Residues	5
Details	binding site for residue EDO C 203

Chain	Residue
C	TRP121
C	VAL122
C	VAL123
C	HIS135
C	HOH302

---

site_id	AD6
Number of Residues	2
Details	binding site for residue EDO C 204

Chain	Residue
C	HIS79
C	ASP80

---

site_id	AD7
Number of Residues	6
Details	binding site for residue EDO C 205

Chain	Residue
F	EDO205
C	ARG112
C	PHE119
C	HOH313
F	ARG112
F	EDO204

---

site_id	AD8
Number of Residues	2
Details	binding site for residue EDO C 206

Chain	Residue
B	ASP94
C	ARG112

---

site_id	AD9
Number of Residues	2
Details	binding site for residue SO4 C 207

Chain	Residue
C	ARG67
C	ARG86

---

site_id	AE1
Number of Residues	9
Details	binding site for residue ZLY D 201

Chain	Residue
A	PHE62
D	ARG86
D	HIS107
D	PHE108
D	LYS109
D	LEU120
D	TRP121
E	ARG112
E	EDO202

---

site_id	AE2
Number of Residues	2
Details	binding site for residue SO4 D 202

Chain	Residue
D	PRO66
D	ARG67

---

site_id	AE3
Number of Residues	4
Details	binding site for residue SO4 D 203

Chain	Residue
A	LYS76
D	PHE101
D	GLN144
F	ARG149

---

site_id	AE4
Number of Residues	2
Details	binding site for residue SO4 D 204

Chain	Residue
A	GLN144
D	LYS69

---

site_id	AE5
Number of Residues	13
Details	binding site for residue ZLY E 201

Chain	Residue
B	PHE62
D	ARG112
D	ASP113
D	GLY114
E	SER96
E	GLN106
E	HIS107
E	PHE108
E	LYS109
E	LEU111
E	LEU120
E	TRP121
E	EDO202

---

site_id	AE6
Number of Residues	4
Details	binding site for residue EDO E 202

Chain	Residue
D	ARG112
D	ZLY201
E	ARG112
E	ZLY201

---

site_id	AE7
Number of Residues	5
Details	binding site for residue EDO E 203

Chain	Residue
A	PRO92
E	ASN129
E	HOH305
F	PHE62
F	GLU87

---

site_id	AE8
Number of Residues	17
Details	binding site for residue ZLY F 201

Chain	Residue
B	ARG112
B	ASP113
B	GLY114
B	PHE119
B	LYS124
C	ALA91
C	GLY93
C	ASP94
F	ARG86
F	SER96
F	HIS107
F	PHE108
F	LYS109
F	LEU111
F	LEU120
F	TRP121
F	EDO205

---

site_id	AE9
Number of Residues	3
Details	binding site for residue EDO F 202

Chain	Residue
E	PRO59
F	PRO66
F	ARG67

---

site_id	AF1
Number of Residues	5
Details	binding site for residue EDO F 203

Chain	Residue
F	TRP121
F	VAL122
F	VAL123
F	HIS135
F	HOH301

---

site_id	AF2
Number of Residues	8
Details	binding site for residue EDO F 204

Chain	Residue
C	ZLY201
C	EDO205
F	ASP94
F	LYS109
F	VAL110
F	LEU111
F	ARG112
F	EDO205

---

site_id	AF3
Number of Residues	8
Details	binding site for residue EDO F 205

Chain	Residue
B	ZLY201
C	ARG112
C	EDO205
F	ARG112
F	PHE119
F	ZLY201
F	EDO204
F	HOH314

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
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

---

site_id	SWS_FT_FI3
Number of Residues	368
Details	Domain: {"description":"SH2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---