6JN3

Serine Beta-Lactamase KPC-2 in Complex with Dual MBL/SBL Inhibitor MS05

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008800	molecular_function	beta-lactamase activity
A	0016787	molecular_function	hydrolase activity
A	0017001	biological_process	antibiotic catabolic process
A	0030655	biological_process	beta-lactam antibiotic catabolic process
A	0046677	biological_process	response to antibiotic
B	0008800	molecular_function	beta-lactamase activity
B	0016787	molecular_function	hydrolase activity
B	0017001	biological_process	antibiotic catabolic process
B	0030655	biological_process	beta-lactam antibiotic catabolic process
B	0046677	biological_process	response to antibiotic
C	0008800	molecular_function	beta-lactamase activity
C	0016787	molecular_function	hydrolase activity
C	0017001	biological_process	antibiotic catabolic process
C	0030655	biological_process	beta-lactam antibiotic catabolic process
C	0046677	biological_process	response to antibiotic
D	0008800	molecular_function	beta-lactamase activity
D	0016787	molecular_function	hydrolase activity
D	0017001	biological_process	antibiotic catabolic process
D	0030655	biological_process	beta-lactam antibiotic catabolic process
D	0046677	biological_process	response to antibiotic

Functional Information from PDB Data

site_id	AC1
Number of Residues	9
Details	binding site for residue BX6 A 301

Chain	Residue
A	CYS69
A	SER70
A	TRP105
A	ASN132
A	GLU166
A	ASN170
A	THR237
A	CYS238
A	ACY303

---

site_id	AC2
Number of Residues	1
Details	binding site for residue PEG A 302

Chain	Residue
A	TRP165

---

site_id	AC3
Number of Residues	7
Details	binding site for residue ACY A 303

Chain	Residue
A	SER70
A	SER130
A	LYS234
A	THR235
A	GLY236
A	THR237
A	BX6301

---

site_id	AC4
Number of Residues	5
Details	binding site for residue ACY A 304

Chain	Residue
A	SER275
A	GLU276
A	ALA277
A	HOH410
C	LYS273

---

site_id	AC5
Number of Residues	7
Details	binding site for residue BX6 B 301

Chain	Residue
B	SER70
B	ASN132
B	GLU166
B	ASN170
B	THR237
B	CYS238
B	ACY305

---

site_id	AC6
Number of Residues	4
Details	binding site for residue PEG B 302

Chain	Residue
B	THR51
B	PEG303
B	HOH430
B	HOH442

---

site_id	AC7
Number of Residues	3
Details	binding site for residue PEG B 303

Chain	Residue
B	GLN191
B	LYS192
B	PEG302

---

site_id	AC8
Number of Residues	4
Details	binding site for residue PEG B 304

Chain	Residue
B	GLN85
B	ALA88
B	HOH401
D	GLN85

---

site_id	AC9
Number of Residues	6
Details	binding site for residue ACY B 305

Chain	Residue
B	SER70
B	SER130
B	LYS234
B	THR235
B	THR237
B	BX6301

---

site_id	AD1
Number of Residues	8
Details	binding site for residue BX6 C 301

Chain	Residue
C	SER70
C	TRP105
C	ASN132
C	GLU166
C	ASN170
C	THR237
C	CYS238
C	ACY303

---

site_id	AD2
Number of Residues	3
Details	binding site for residue PEG C 302

Chain	Residue
C	ASN100
C	HOH442
D	MET49

---

site_id	AD3
Number of Residues	7
Details	binding site for residue ACY C 303

Chain	Residue
C	SER70
C	SER130
C	LYS234
C	THR235
C	GLY236
C	THR237
C	BX6301

---

site_id	AD4
Number of Residues	4
Details	binding site for residue ACY C 304

Chain	Residue
C	SER275
C	GLU276
C	ALA277
C	HOH416

---

site_id	AD5
Number of Residues	8
Details	binding site for residue BX6 D 301

Chain	Residue
D	CYS69
D	SER70
D	TRP105
D	ASN132
D	GLU166
D	ASN170
D	THR237
D	ACY303

---

site_id	AD6
Number of Residues	2
Details	binding site for residue PEG D 302

Chain	Residue
A	THR254
D	LYS140

---

site_id	AD7
Number of Residues	6
Details	binding site for residue ACY D 303

Chain	Residue
D	SER70
D	SER130
D	THR235
D	GLY236
D	THR237
D	BX6301

---

site_id	AD8
Number of Residues	3
Details	binding site for residue ACY D 304

Chain	Residue
D	SER275
D	GLU276
D	ALA277

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Acyl-ester intermediate => ECO:0000250

Chain	Residue	Details
A	SER70
B	SER70
C	SER70
D	SER70

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	GLU168
B	GLU168
C	GLU168
D	GLU168

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	LYS234
B	LYS234
C	LYS234
D	LYS234

---