4DKI

Structural Insights into the Anti- Methicillin-Resistant Staphylococcus aureus (MRSA) Activity of Ceftobiprole

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004180	molecular_function	carboxypeptidase activity
A	0008658	molecular_function	penicillin binding
A	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
A	0016020	cellular_component	membrane
A	0046677	biological_process	response to antibiotic
A	0071555	biological_process	cell wall organization
A	0071972	molecular_function	peptidoglycan L,D-transpeptidase activity
B	0004180	molecular_function	carboxypeptidase activity
B	0008658	molecular_function	penicillin binding
B	0009002	molecular_function	serine-type D-Ala-D-Ala carboxypeptidase activity
B	0016020	cellular_component	membrane
B	0046677	biological_process	response to antibiotic
B	0071555	biological_process	cell wall organization
B	0071972	molecular_function	peptidoglycan L,D-transpeptidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	15
Details	BINDING SITE FOR RESIDUE RB6 A 701

Chain	Residue
A	SER403
A	THR600
A	ALA601
A	GLU602
A	MET641
A	ALA642
A	HOH806
A	LYS406
A	TYR446
A	SER462
A	ASN464
A	GLY520
A	GLN521
A	SER598
A	GLY599

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BCT A 702

Chain	Residue
A	ARG151
A	THR165
A	ARG241
A	VAL277

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BCT A 703

Chain	Residue
A	ASP128
A	HIS129
A	GLN137
A	LYS138

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE BCT A 704

Chain	Residue
A	LYS153
A	ASP323
B	LYS153
B	ASP323

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 705

Chain	Residue
A	HIS143
A	GLU145
A	CL708
B	GLU145

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CD A 706

Chain	Residue
A	HIS232

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 707

Chain	Residue
A	GLY135
A	HIS311
A	CL709
B	ASP209

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL A 708

Chain	Residue
A	GLU145
A	THR300
A	CD705
B	GLU145

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL A 709

Chain	Residue
A	GLN137
A	GLN140
A	CD707
B	GLN207
B	ASP209

---

site_id	BC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE RB6 B 701

Chain	Residue
B	SER403
B	LYS406
B	TYR446
B	SER462
B	ASN464
B	TYR519
B	GLY520
B	GLN521
B	SER598
B	GLY599
B	THR600
B	GLU602
B	ALA642

---

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE BCT B 702

Chain	Residue
B	ASP35
B	GLU38

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD B 703

Chain	Residue
A	GLU145
B	HIS143
B	GLU145
B	ASN307
B	CL707

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD B 704

Chain	Residue
A	ASP209
B	GLY135
B	HIS311
B	CL708

---

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CD B 705

Chain	Residue
A	GLU59
B	HIS232

---

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CD B 706

Chain	Residue
A	LYS434
B	ASN569
B	ASP573

---

site_id	BC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL B 707

Chain	Residue
A	GLU145
B	GLU145
B	ARG298
B	THR300
B	CD703

---

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CL B 708

Chain	Residue
A	GLN207
B	GLY135
B	GLN137
B	GLN140
B	HIS311
B	CD704

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