5LAY

Discovery of New Natural-product-inspired Spiro-oxindole Compounds as Orally Active Inhibitors of the MDM2-p53 Interaction: HDM2 (MDM2) IN COMPLEX WITH COMPOUND 6g

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005634	cellular_component	nucleus
A	0043066	biological_process	negative regulation of apoptotic process
A	0051726	biological_process	regulation of cell cycle
B	0005634	cellular_component	nucleus
B	0043066	biological_process	negative regulation of apoptotic process
B	0051726	biological_process	regulation of cell cycle
C	0005634	cellular_component	nucleus
C	0043066	biological_process	negative regulation of apoptotic process
C	0051726	biological_process	regulation of cell cycle
D	0005634	cellular_component	nucleus
D	0043066	biological_process	negative regulation of apoptotic process
D	0051726	biological_process	regulation of cell cycle
E	0005634	cellular_component	nucleus
E	0043066	biological_process	negative regulation of apoptotic process
E	0051726	biological_process	regulation of cell cycle
F	0005634	cellular_component	nucleus
F	0043066	biological_process	negative regulation of apoptotic process
F	0051726	biological_process	regulation of cell cycle

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	binding site for residue GOL A 201

Chain	Residue
A	GLN71
A	GLN72
A	HIS73

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site_id	AC2
Number of Residues	4
Details	binding site for residue GOL A 202

Chain	Residue
A	PRO20
A	ALA21
A	SER22
A	LYS36

---

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

Chain	Residue
A	HOH316
B	THR26
B	TYR104
A	LYS45
A	GLU52

---

site_id	AC4
Number of Residues	5
Details	binding site for residue SO4 A 204

Chain	Residue
A	SER17
A	GLN18
A	ILE19
A	GLN24
A	HIS96

---

site_id	AC5
Number of Residues	12
Details	binding site for residue 6SS A 205

Chain	Residue
A	LEU54
A	GLY58
A	ILE61
A	TYR67
A	GLN72
A	PHE86
A	VAL93
A	HIS96
A	ILE99
A	HOH302
C	GLU69
C	GLN72

---

site_id	AC6
Number of Residues	2
Details	binding site for residue SO4 B 201

Chain	Residue
B	ASP46
B	THR47

---

site_id	AC7
Number of Residues	10
Details	binding site for residue 6SS B 202

Chain	Residue
B	LEU54
B	GLY58
B	ILE61
B	MET62
B	TYR67
B	GLN72
B	PHE86
B	VAL93
B	HIS96
B	ILE99

---

site_id	AC8
Number of Residues	5
Details	binding site for residue GOL C 201

Chain	Residue
C	GLN18
C	ILE19
C	GLN24
C	HIS96
C	6SS202

---

site_id	AC9
Number of Residues	12
Details	binding site for residue 6SS C 202

Chain	Residue
C	LEU54
C	GLY58
C	ILE61
C	MET62
C	TYR67
C	GLN72
C	PHE86
C	VAL93
C	HIS96
C	ILE99
C	GOL201
C	HOH307

---

site_id	AD1
Number of Residues	5
Details	binding site for residue SO4 D 201

Chain	Residue
D	SER17
D	GLN18
D	ILE19
D	GLN24
D	HIS96

---

site_id	AD2
Number of Residues	11
Details	binding site for residue 6SS D 202

Chain	Residue
D	LEU54
D	GLY58
D	ILE61
D	MET62
D	TYR67
D	GLN72
D	PHE86
D	VAL93
D	HIS96
D	ILE99
D	HOH305

---

site_id	AD3
Number of Residues	1
Details	binding site for residue GOL E 201

Chain	Residue
E	6SS203

---

site_id	AD4
Number of Residues	3
Details	binding site for residue SO4 E 202

Chain	Residue
E	LYS45
E	ASP46
E	THR47

---

site_id	AD5
Number of Residues	9
Details	binding site for residue 6SS E 203

Chain	Residue
E	LEU54
E	GLY58
E	ILE61
E	TYR67
E	PHE86
E	VAL93
E	HIS96
E	ILE99
E	GOL201

---

site_id	AD6
Number of Residues	7
Details	binding site for residue 6SS F 201

Chain	Residue
F	LEU54
F	GLY58
F	ILE61
F	MET62
F	TYR67
F	HIS96
F	ILE99

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