6QWC

Crystal structure of KPC-4 complexed with relebactam (1 hour soak)

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue SO4 A 301

Chain	Residue
A	SER275
A	GLU276
A	ALA277
A	HOH402
A	HOH466
A	HOH507

---

site_id	AC2
Number of Residues	5
Details	binding site for residue SO4 A 302

Chain	Residue
A	HOH408
A	HOH411
A	GLY239
A	LYS273
A	HIS274

---

site_id	AC3
Number of Residues	4
Details	binding site for residue SO4 A 303

Chain	Residue
A	GLN86
A	ARG104
A	TRP105
A	HOH446

---

site_id	AC4
Number of Residues	7
Details	binding site for residue SO4 A 304

Chain	Residue
A	GLN86
A	GLN87
A	ALA88
A	ARG104
A	TRP105
A	MK7310
A	HOH414

---

site_id	AC5
Number of Residues	5
Details	binding site for residue SO4 A 305

Chain	Residue
A	ASP92
A	ARG178
A	HOH459
A	HOH509
A	HOH565

---

site_id	AC6
Number of Residues	10
Details	binding site for residue SO4 A 306

Chain	Residue
A	ILE173
A	ILE173
A	TYR241
A	TYR241
A	LYS270
A	LYS270
A	HOH416
A	HOH416
A	HOH484
A	HOH484

---

site_id	AC7
Number of Residues	6
Details	binding site for residue SO4 A 307

Chain	Residue
A	THR26
A	ARG184
A	PRO226
A	ALA227
A	HOH405
A	HOH514

---

site_id	AC8
Number of Residues	8
Details	binding site for residue SO4 A 308

Chain	Residue
A	ILE108
A	TYR112
A	MET117
A	GLU121
A	ALA146
A	ASP163
A	HOH410
A	HOH550

---

site_id	AC9
Number of Residues	5
Details	binding site for residue GOL A 309

Chain	Residue
A	GLN205
A	LYS212
A	ALA230
A	TRP251
A	HOH485

---

site_id	AD1
Number of Residues	18
Details	binding site for residue MK7 A 310

Chain	Residue
A	CYS69
A	SER70
A	LYS73
A	ALA88
A	TRP105
A	SER130
A	ASN132
A	THR216
A	LYS234
A	THR235
A	GLY236
A	THR237
A	CYS238
A	SO4304
A	HOH417
A	HOH438
A	HOH486
A	HOH531

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI2
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_FI3
Number of Residues	1
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
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_FI5
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_FI6
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_FI7
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_FI8
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_FI9
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

---