2VES

Crystal Structure of LpxC from Pseudomonas aeruginosa complexed with the potent BB-78485 inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005737	cellular_component	cytoplasm
A	0006629	biological_process	lipid metabolic process
A	0009245	biological_process	lipid A biosynthetic process
A	0016020	cellular_component	membrane
A	0016787	molecular_function	hydrolase activity
A	0046872	molecular_function	metal ion binding
A	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
B	0003824	molecular_function	catalytic activity
B	0005737	cellular_component	cytoplasm
B	0006629	biological_process	lipid metabolic process
B	0009245	biological_process	lipid A biosynthetic process
B	0016020	cellular_component	membrane
B	0016787	molecular_function	hydrolase activity
B	0046872	molecular_function	metal ion binding
B	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
C	0003824	molecular_function	catalytic activity
C	0005737	cellular_component	cytoplasm
C	0006629	biological_process	lipid metabolic process
C	0009245	biological_process	lipid A biosynthetic process
C	0016020	cellular_component	membrane
C	0016787	molecular_function	hydrolase activity
C	0046872	molecular_function	metal ion binding
C	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1295

Chain	Residue
A	HIS78
A	HIS237
A	ASP241
A	GVR1296

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B1289

Chain	Residue
B	HIS78
B	HIS237
B	ASP241
B	GVR1290

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C1300

Chain	Residue
C	HIS237
C	ASP241
C	GVR1301
C	HIS78

---

site_id	AC4
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GVR A1296

Chain	Residue
A	LEU18
A	MET62
A	GLU77
A	HIS78
A	THR190
A	PHE191
A	GLY192
A	ILE197
A	GLY209
A	ASN213
A	ALA214
A	HIS237
A	ASP241
A	HIS264
A	ZN1295
A	HOH2412

---

site_id	AC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GVR B1290

Chain	Residue
B	LEU18
B	MET62
B	GLU77
B	HIS78
B	THR190
B	PHE191
B	GLY192
B	ILE197
B	GLY209
B	ASN213
B	ALA214
B	HIS237
B	ASP241
B	HIS264
B	ZN1289
B	HOH2177

---

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE GVR C1301

Chain	Residue
C	LEU18
C	MET62
C	GLU77
C	HIS78
C	THR190
C	PHE191
C	GLY192
C	GLY209
C	ASN213
C	ALA214
C	HIS237
C	ASP241
C	HIS264
C	ZN1300
C	HOH2161
C	HOH2163

---

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A1297

Chain	Residue
A	ASP159
A	ASP161
B	HIS162
B	GLU219

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B1291

Chain	Residue
B	ASP159
B	ASP161
C	HIS162
C	GLU219

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C1302

Chain	Residue
A	HIS162
A	GLU219
C	ASP159
C	ASP161

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN C1303

Chain	Residue
A	GLN203
C	GLU134
C	SER136
C	HOH2406
C	HOH2407
C	HOH2408

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE SO4 B1292

Chain	Residue
A	THR14
A	HOH2061
B	THR14
B	HOH2038
B	HOH2067
B	HOH2399
B	HOH2400
B	HOH2402
C	THR14

---

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C1304

Chain	Residue
B	ARG133
C	MET1
C	ASP288
C	ALA289
C	HOH2409

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {"description":"Proton donor","evidences":[{"source":"HAMAP-Rule","id":"MF_00388","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	9
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00388","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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