6YWL

Crystal structure of SARS-CoV-2 (Covid-19) NSP3 macrodomain in complex with ADP-ribose

Functional Information from PDB Data

site_id	AC1
Number of Residues	28
Details	binding site for residue APR A 201

Chain	Residue
A	ASP22
A	ALA50
A	LEU126
A	SER128
A	ALA129
A	GLY130
A	ILE131
A	PHE132
A	ALA154
A	PHE156
A	HOH301
A	ILE23
A	HOH302
A	HOH304
A	HOH309
A	HOH310
A	HOH320
A	HOH321
A	HOH325
A	HOH337
A	HOH338
A	ALA38
A	ASN40
A	LYS44
A	GLY46
A	GLY47
A	GLY48
A	VAL49

---

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

Chain	Residue
A	SER7
A	GLY8
A	TYR9
A	HOH329

---

site_id	AC3
Number of Residues	4
Details	binding site for residue EDO A 203

Chain	Residue
A	GLY8
A	LYS19
A	ASN20
A	TYR161

---

site_id	AC4
Number of Residues	3
Details	binding site for residue EDO A 204

Chain	Residue
A	ALA134
A	ASP135
E	PRO74

---

site_id	AC5
Number of Residues	4
Details	binding site for residue EDO A 205

Chain	Residue
A	ALA129
A	GLY130
A	GLY133
A	ALA134

---

site_id	AC6
Number of Residues	3
Details	binding site for residue EDO A 206

Chain	Residue
A	ARG148
D	LEU108
D	SER111

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO A 207

Chain	Residue
A	GLU114
A	ASN115
D	ASN115
D	EDO203
D	HOH313

---

site_id	AC8
Number of Residues	24
Details	binding site for residue APR B 201

Chain	Residue
B	ASP22
B	ILE23
B	ALA38
B	ASN40
B	LYS44
B	GLY46
B	GLY47
B	GLY48
B	VAL49
B	ALA50
B	LEU126
B	SER128
B	ALA129
B	GLY130
B	ILE131
B	PHE132
B	ALA154
B	PHE156
B	HOH301
B	HOH304
B	HOH306
B	HOH308
B	HOH313
B	HOH314

---

site_id	AC9
Number of Residues	6
Details	binding site for residue EDO B 202

Chain	Residue
B	LYS44
B	HIS45
B	GLN62
E	ALA134
E	ASP135
E	PRO136

---

site_id	AD1
Number of Residues	6
Details	binding site for residue EDO B 203

Chain	Residue
B	ASP67
B	TYR68
B	THR71
C	TYR9
C	LEU10
C	LYS11

---

site_id	AD2
Number of Residues	27
Details	binding site for residue APR C 201

Chain	Residue
C	ALA129
C	GLY130
C	ILE131
C	PHE132
C	ALA154
C	PHE156
C	HOH305
C	HOH312
C	HOH313
C	HOH320
C	HOH323
C	HOH324
C	HOH327
C	HOH329
C	HOH336
C	ASP22
C	ILE23
C	ALA38
C	ASN40
C	LYS44
C	GLY46
C	GLY47
C	GLY48
C	VAL49
C	ALA50
C	LEU126
C	SER128

---

site_id	AD3
Number of Residues	4
Details	binding site for residue MG C 202

Chain	Residue
C	GLY0
C	HIS1
C	GLU120
E	HIS138

---

site_id	AD4
Number of Residues	4
Details	binding site for residue EDO C 203

Chain	Residue
C	GLY8
C	LYS19
C	ASN20
C	TYR161

---

site_id	AD5
Number of Residues	5
Details	binding site for residue EDO C 204

Chain	Residue
B	ASP67
C	PHE6
C	SER7
C	GLY8
C	TYR9

---

site_id	AD6
Number of Residues	27
Details	binding site for residue APR D 201

Chain	Residue
D	ASP22
D	ILE23
D	ALA38
D	ASN40
D	LYS44
D	GLY46
D	GLY47
D	GLY48
D	VAL49
D	ALA50
D	LEU126
D	SER128
D	ALA129
D	GLY130
D	ILE131
D	PHE132
D	ALA154
D	PHE156
D	EDO204
D	HOH301
D	HOH303
D	HOH305
D	HOH309
D	HOH312
D	HOH315
D	HOH324
D	HOH327

---

site_id	AD7
Number of Residues	4
Details	binding site for residue EDO D 202

Chain	Residue
D	TYR68
D	ASN72
D	GLY73
D	LEU75

---

site_id	AD8
Number of Residues	5
Details	binding site for residue EDO D 203

Chain	Residue
A	GLN118
A	EDO207
D	GLY79
D	SER80
D	ASN115

---

site_id	AD9
Number of Residues	4
Details	binding site for residue EDO D 204

Chain	Residue
C	ASN58
D	GLY47
D	GLY48
D	APR201

---

site_id	AE1
Number of Residues	26
Details	binding site for residue APR E 201

Chain	Residue
E	ASP22
E	ILE23
E	ALA38
E	ASN40
E	LYS44
E	GLY46
E	GLY47
E	GLY48
E	VAL49
E	ALA50
E	LEU126
E	SER128
E	ALA129
E	GLY130
E	ILE131
E	PHE132
E	ALA154
E	PHE156
E	HOH306
E	HOH313
E	HOH314
E	HOH320
E	HOH321
E	HOH322
E	HOH328
E	HOH329

---

site_id	AE2
Number of Residues	5
Details	binding site for residue MG E 202

Chain	Residue
E	GLY0
E	HIS1
E	HIS91
E	HOH301
E	HOH307

---

site_id	AE3
Number of Residues	4
Details	binding site for residue EDO E 203

Chain	Residue
E	GLY8
E	LYS19
E	ASN20
E	TYR161

---