2QDS

Crystal Structure of the Zinc Carbapenemase CPHA in Complex with the Inhibitor D-Captopril

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008270	molecular_function	zinc ion binding
A	0008800	molecular_function	beta-lactamase activity
A	0016787	molecular_function	hydrolase activity
A	0017001	biological_process	antibiotic catabolic process
A	0042597	cellular_component	periplasmic space
A	0046677	biological_process	response to antibiotic
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 401

Chain	Residue
A	ASP120
A	CYS221
A	HIS263
A	MCO501

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 601

Chain	Residue
A	HOH779
A	SER104
A	ARG105
A	LYS106
A	HOH622
A	HOH768

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 602

Chain	Residue
A	LYS129
A	ARG140
A	ASN173
A	LYS302
A	HOH712
A	HOH774

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 603

Chain	Residue
A	LYS147
A	LYS147
A	LEU171
A	HOH754

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 604

Chain	Residue
A	LYS97
A	LEU98
A	ARG102
A	LYS257
A	HOH647
A	HOH652
A	HOH780

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MCO A 501

Chain	Residue
A	HIS118
A	THR119
A	ASP120
A	LEU161
A	HIS196
A	CYS221
A	ASN233
A	HIS263
A	ZN401
A	HOH608
A	HOH609

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 605

Chain	Residue
A	HIS176
A	ASP177
A	GLY178
A	ASP179

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 606

Chain	Residue
A	ASP179
A	ARG188
A	PHE190
A	TYR204
A	HOH686

---

Functional Information from PROSITE/UniProt

site_id	PS00743
Number of Residues	20
Details	BETA_LACTAMASE_B_1 Beta-lactamases class B signature 1. InTNyHTDraGGnaywksi.G

Chain	Residue	Details
A	ILE113-GLY133

---

site_id	PS00744
Number of Residues	13
Details	BETA_LACTAMASE_B_2 Beta-lactamases class B signature 2. PdeqVLyGnCILK

Chain	Residue	Details
A	PRO209-LYS224

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15588826","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17307979","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18563261","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19651913","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20527888","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15588826","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15588826","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18563261","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20527888","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15588826","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17307979","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20527888","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15588826","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17307979","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18563261","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 2bmi

Chain	Residue	Details
A	ASP120
A	ASN233

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 2bmi

Chain	Residue	Details
A	ASP120

---