6D19

Crystal structure of KPC-2 complexed with compound 9

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	11
Details	binding site for residue YKG A 301

Chain	Residue
A	SER70
A	HOH482
A	HOH521
A	TRP105
A	SER130
A	LYS234
A	THR235
A	GLY236
A	THR237
A	HOH412
A	HOH475

---

site_id	AC2
Number of Residues	4
Details	binding site for residue YKG A 302

Chain	Residue
A	ASN136
A	TRP165
A	GLU166
A	HOH426

---

site_id	AC3
Number of Residues	6
Details	binding site for residue YKG A 303

Chain	Residue
A	ARG83
A	GLY147
A	ALA150
A	PHE151
A	SER154
A	HOH421

---

site_id	AC4
Number of Residues	4
Details	binding site for residue GOL A 304

Chain	Residue
A	GLN205
A	LYS212
A	ALA230
A	HOH418

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Nucleophile; acyl-ester intermediate => ECO:0000269|PubMed:33257320, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24

Chain	Residue	Details
A	SER70

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000250

Chain	Residue	Details
A	GLU168

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0000269|PubMed:33257320, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24

Chain	Residue	Details
A	SER70
A	THR237

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0007744|PDB:5UJ3

Chain	Residue	Details
A	LYS73

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:33257320, ECO:0000312|PDB:6Z24

Chain	Residue	Details
A	TRP105

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0000269|PubMed:33257320, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z23

Chain	Residue	Details
A	SER130

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:33257320, ECO:0007744|PDB:6Z23, ECO:0007744|PDB:6Z24

Chain	Residue	Details
A	ASN132

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:28388065, ECO:0007744|PDB:5UJ3, ECO:0007744|PDB:6Z24

Chain	Residue	Details
A	THR235

---