6U3Y

Structure-based discovery of a novel small-molecule inhibitor of methicillin-resistant S. aureus

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005576	cellular_component	extracellular region
A	0051715	biological_process	cytolysis in another organism
B	0005576	cellular_component	extracellular region
B	0051715	biological_process	cytolysis in another organism
D	0005576	cellular_component	extracellular region
D	0051715	biological_process	cytolysis in another organism

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue PQJ A 401

Chain	Residue
A	ASN173
A	TRP176
A	TYR179
A	GLU191
A	LEU194
A	SER196
A	ARG197

---

site_id	AC2
Number of Residues	8
Details	binding site for residue PQJ A 402

Chain	Residue
A	ASN200
A	LEU201
A	TRP256
A	TRP261
D	THR165
D	LYS169
A	THR71
A	SER199

---

site_id	AC3
Number of Residues	6
Details	binding site for residue PQJ A 403

Chain	Residue
A	GLN112
A	MET172
A	ASN174
A	GLY175
B	ILE135
B	TYR137

---

site_id	AC4
Number of Residues	4
Details	binding site for residue SO4 A 404

Chain	Residue
A	ASP70
A	THR71
A	ILE72
A	SER73

---

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 A 405

Chain	Residue
A	TYR144
A	GLN146
A	LYS170
A	PRO178
B	LYS133

---

site_id	AC6
Number of Residues	4
Details	binding site for residue SO4 A 406

Chain	Residue
A	HIS3
A	ILE4
A	THR5
B	LYS49

---

site_id	AC7
Number of Residues	2
Details	binding site for residue SO4 A 407

Chain	Residue
A	HIS185
A	ARG197

---

site_id	AC8
Number of Residues	3
Details	binding site for residue SO4 A 408

Chain	Residue
A	GLN258
D	LEU109
D	GLY110

---

site_id	AC9
Number of Residues	4
Details	binding site for residue SO4 A 409

Chain	Residue
A	GLU209
A	TYR210
A	HOH502
A	HOH610

---

site_id	AD1
Number of Residues	3
Details	binding site for residue ACT A 410

Chain	Residue
A	ASN265
A	LYS267
A	HOH583

---

site_id	AD2
Number of Residues	3
Details	binding site for residue ACT A 411

Chain	Residue
A	LYS81
A	ARG181
A	GLU248

---

site_id	AD3
Number of Residues	4
Details	binding site for residue ACT A 412

Chain	Residue
A	ALA1
A	HOH537
A	HOH597
B	GLN140

---

site_id	AD4
Number of Residues	4
Details	binding site for residue SO4 B 301

Chain	Residue
B	ARG232
B	ARG263
B	HOH454
B	HOH478

---

site_id	AD5
Number of Residues	3
Details	binding site for residue SO4 B 302

Chain	Residue
B	LYS279
B	HOH438
B	HOH473

---

site_id	AD6
Number of Residues	5
Details	binding site for residue SO4 B 303

Chain	Residue
B	SER22
B	ASP23
B	LYS24
B	HOH405
B	HOH496

---

site_id	AD7
Number of Residues	2
Details	binding site for residue SO4 B 304

Chain	Residue
B	LYS24
B	ARG263

---

site_id	AD8
Number of Residues	3
Details	binding site for residue ACT B 305

Chain	Residue
B	THR66
B	ASP67
B	HIS68

---

site_id	AD9
Number of Residues	1
Details	binding site for residue ACT B 306

Chain	Residue
B	LYS279

---

site_id	AE1
Number of Residues	2
Details	binding site for residue ACT B 307

Chain	Residue
B	HIS173
B	HIS257

---

site_id	AE2
Number of Residues	3
Details	binding site for residue ACT B 308

Chain	Residue
B	ARG148
B	HOH407
D	HIS245

---

site_id	AE3
Number of Residues	3
Details	binding site for residue SO4 D 301

Chain	Residue
D	SER22
D	ASP23
D	LYS24

---

site_id	AE4
Number of Residues	3
Details	binding site for residue SO4 D 302

Chain	Residue
D	LYS49
D	LYS133
D	THR134

---

site_id	AE5
Number of Residues	3
Details	binding site for residue SO4 D 303

Chain	Residue
D	LYS57
D	ARG232
D	ARG263

---

site_id	AE6
Number of Residues	3
Details	binding site for residue SO4 D 304

Chain	Residue
D	LYS159
D	HIS173
D	HIS257

---

site_id	AE7
Number of Residues	4
Details	binding site for residue SO4 D 305

Chain	Residue
B	LYS281
D	ARG241
D	THR243
D	HOH457

---

site_id	AE8
Number of Residues	4
Details	binding site for residue SO4 D 306

Chain	Residue
D	THR66
D	ASP67
D	HIS68
D	HOH401

---

site_id	AE9
Number of Residues	2
Details	binding site for residue ACT D 307

Chain	Residue
D	ASN150
D	SER151

---