3IOF

Crystal structure of CphA N220G mutant with inhibitor 10a

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 1

Chain	Residue
A	ASP120
A	CYS221
A	HIS263
A	IFS308

---

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE IFS A 308

Chain	Residue
A	PHE156
A	THR157
A	LEU161
A	HIS196
A	ASN233
A	HIS263
A	HOH333
A	HOH435
A	ZN1
A	VAL67
A	THR119
A	ASP120
A	ILE153

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 309

Chain	Residue
A	SER104
A	LYS106
A	HOH270
A	HOH332
A	HOH443

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 2

Chain	Residue
A	ARG143
A	ARG143
A	LYS147
A	LYS147
A	HOH508

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 3

Chain	Residue
A	HIS176
A	ASP177
A	GLY178
A	ASP179

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 4

Chain	Residue
A	HIS289
A	GLY290
A	GLU292
A	HOH395

---

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 5

Chain	Residue
A	LYS129
A	VAL170
A	LEU171
A	LYS302
A	HOH403
A	HOH432

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 6

Chain	Residue
A	HOH19
A	LYS97
A	ARG102
A	LYS257
A	HOH324
A	HOH442

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 7

Chain	Residue
A	ALA237
A	ASP238
A	VAL239
A	LYS240
A	GLN306
A	HOH337
A	HOH368

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 8

Chain	Residue
A	LYS226
A	LEU231
A	GLY232
A	HOH400
A	HOH413
A	HOH500

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 A 9

Chain	Residue
A	ARG140
A	ARG140
A	HOH287
A	HOH394
A	HOH394
A	HOH482
A	HOH482

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 10

Chain	Residue
A	HOH66
A	ARG93
A	HOH208
A	HOH493

---

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL A 310

Chain	Residue
A	THR181
A	ARG188

---

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL A 311

Chain	Residue
A	HOH37
A	HOH61
A	LYS78
A	LEU182
A	GLN183
A	GLU184
A	HOH286
A	HOH357
A	HOH484
A	HOH505

---

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 312

Chain	Residue
A	HOH40
A	ASP179
A	ARG188
A	PHE190
A	TYR204
A	MET252
A	HOH276

---

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. PdeqVLyGgCILK

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

---