6YWK

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

Functional Information from PDB Data

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

Chain	Residue
A	HIS86
A	ALA89
A	HOH301
A	HOH316
B	GLY8

---

site_id	AC2
Number of Residues	6
Details	binding site for residue EDO A 202

Chain	Residue
A	PHE132
A	HOH313
A	ALA38
A	SER128
A	ALA129
A	ILE131

---

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

Chain	Residue
A	ASN117
A	GLN118
A	HIS119
D	LYS76
D	LEU108

---

site_id	AC4
Number of Residues	4
Details	binding site for residue MG C 201

Chain	Residue
C	GLY0
C	HIS1
C	GLU120
E	HIS138

---

site_id	AC5
Number of Residues	7
Details	binding site for residue EPE C 202

Chain	Residue
C	TYR68
C	ASN72
C	LEU75
C	LYS76
C	GLY79
C	SER80
D	LYS29

---

site_id	AC6
Number of Residues	6
Details	binding site for residue EDO C 203

Chain	Residue
B	ASP67
C	PHE6
C	SER7
C	GLY8
C	TYR9
C	TYR152

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO C 204

Chain	Residue
C	GLY0
C	GLU120
C	HOH305
C	HOH324
E	ARG141

---

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO C 205

Chain	Residue
B	ASP105
C	ASP14

---

site_id	AC9
Number of Residues	2
Details	binding site for residue EDO C 206

Chain	Residue
C	ASN117
E	ARG141

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO C 207

Chain	Residue
C	VAL34
C	HIS119
C	HOH333
C	HOH335

---

site_id	AD2
Number of Residues	1
Details	binding site for residue EDO C 208

Chain	Residue
C	ASP135

---

site_id	AD3
Number of Residues	6
Details	binding site for residue EDO D 201

Chain	Residue
A	ASN115
A	GLN118
A	HOH311
D	ASN115
D	GLN118
D	HOH326

---

site_id	AD4
Number of Residues	3
Details	binding site for residue EDO D 202

Chain	Residue
A	GLN107
A	SER111
D	ARG148

---

site_id	AD5
Number of Residues	4
Details	binding site for residue EDO D 203

Chain	Residue
A	HOH315
D	ASN117
D	GLN118
D	GLU120

---

site_id	AD6
Number of Residues	3
Details	binding site for residue EDO D 204

Chain	Residue
D	ILE106
D	GLN107
D	HIS138

---

site_id	AD7
Number of Residues	7
Details	binding site for residue EDO D 205

Chain	Residue
D	ALA38
D	LEU126
D	SER128
D	ALA129
D	PHE132
D	HOH339
D	HOH365

---

site_id	AD8
Number of Residues	6
Details	binding site for residue EDO D 206

Chain	Residue
D	ASN40
D	GLY47
D	ALA50
D	PHE132
D	HOH301
D	HOH316

---

site_id	AD9
Number of Residues	1
Details	binding site for residue EDO D 207

Chain	Residue
D	HOH318

---

site_id	AE1
Number of Residues	9
Details	binding site for residue EDO D 208

Chain	Residue
D	ALA21
D	ASP22
D	ILE23
D	VAL49
D	ALA154
D	PHE156
D	EDO209
D	HOH335
D	HOH358

---

site_id	AE2
Number of Residues	5
Details	binding site for residue EDO D 209

Chain	Residue
C	ASN58
D	ASP22
D	ALA52
D	PHE156
D	EDO208

---

site_id	AE3
Number of Residues	3
Details	binding site for residue EDO D 210

Chain	Residue
B	SER111
B	ASN115
D	ASN58

---

site_id	AE4
Number of Residues	2
Details	binding site for residue EDO D 211

Chain	Residue
D	ALA134
D	ASP135

---

site_id	AE5
Number of Residues	5
Details	binding site for residue MG E 201

Chain	Residue
E	HOH301
E	HOH305
E	GLY0
E	HIS1
E	HIS91

---

site_id	AE6
Number of Residues	13
Details	binding site for residue EPE E 202

Chain	Residue
E	ALA38
E	ALA39
E	ASN40
E	LYS44
E	GLY46
E	GLY47
E	ALA50
E	SER128
E	ALA129
E	ILE131
E	PHE132
E	HOH303
E	HOH362

---

site_id	AE7
Number of Residues	6
Details	binding site for residue EPE E 203

Chain	Residue
E	TYR68
E	LEU75
E	LYS76
E	GLY79
E	SER80
E	HOH313

---

site_id	AE8
Number of Residues	5
Details	binding site for residue EDO E 204

Chain	Residue
E	LYS31
E	PRO32
E	ALA89
E	LYS90
E	HOH302

---

site_id	AE9
Number of Residues	5
Details	binding site for residue EDO E 205

Chain	Residue
E	ALA21
E	ILE23
E	ALA154
E	PHE156
E	HOH347

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