6QW9

Crystal structure of KPC-2 complexed with relebactam (16 hour soak)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue SO4 A 301

Chain	Residue
A	ARG61
A	THR254
A	GLY255
A	HOH654

---

site_id	AC2
Number of Residues	8
Details	binding site for residue SO4 A 302

Chain	Residue
A	HOH438
A	HOH525
A	HOH558
A	SER275
A	GLU276
A	ALA277
A	HOH410
A	HOH422

---

site_id	AC3
Number of Residues	12
Details	binding site for residue SO4 A 303

Chain	Residue
A	SER70
A	SER130
A	THR216
A	LYS234
A	THR235
A	GLY236
A	THR237
A	MK7305
A	JJT306
A	HOH467
A	HOH490
A	HOH542

---

site_id	AC4
Number of Residues	8
Details	binding site for residue GOL A 304

Chain	Residue
A	GLN205
A	LYS212
A	ALA230
A	TRP251
A	HOH417
A	HOH427
A	HOH447
A	HOH478

---

site_id	AC5
Number of Residues	22
Details	binding site for residue MK7 A 305

Chain	Residue
A	CYS69
A	SER70
A	LYS73
A	ALA88
A	TRP105
A	SER130
A	ASN132
A	ASN170
A	THR216
A	LYS234
A	THR235
A	GLY236
A	THR237
A	CYS238
A	SO4303
A	JJT306
A	HOH408
A	HOH415
A	HOH467
A	HOH490
A	HOH537
A	HOH542

---

site_id	AC6
Number of Residues	11
Details	binding site for residue JJT A 306

Chain	Residue
A	SER70
A	LYS73
A	TRP105
A	SER130
A	ASN132
A	GLY236
A	THR237
A	SO4303
A	MK7305
A	HOH415
A	HOH537

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"description":"Nucleophile; acyl-ester intermediate","evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0000312"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"33257320","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6Z23","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"28388065","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"5UJ3","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6Z24","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---