Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4FW6

Crystal Structure of the LpxC in complex with N-[(2S,3R)-3-HYDROXY-1-(HYDROXYAMINO)-1-OXOBUTAN-2-YL]-4-(PHENYLETHYNYL)BENZAMIDE inhibitor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006796	biological_process	phosphate-containing compound metabolic process
A	0008759	molecular_function	obsolete UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
A	0009245	biological_process	lipid A biosynthetic process
A	0016787	molecular_function	hydrolase activity
A	0019637	biological_process	organophosphate metabolic process
A	0046872	molecular_function	metal ion binding
A	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
A	1901135	biological_process	carbohydrate derivative metabolic process
B	0006796	biological_process	phosphate-containing compound metabolic process
B	0008759	molecular_function	obsolete UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
B	0009245	biological_process	lipid A biosynthetic process
B	0016787	molecular_function	hydrolase activity
B	0019637	biological_process	organophosphate metabolic process
B	0046872	molecular_function	metal ion binding
B	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
B	1901135	biological_process	carbohydrate derivative metabolic process
C	0006796	biological_process	phosphate-containing compound metabolic process
C	0008759	molecular_function	obsolete UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
C	0009245	biological_process	lipid A biosynthetic process
C	0016787	molecular_function	hydrolase activity
C	0019637	biological_process	organophosphate metabolic process
C	0046872	molecular_function	metal ion binding
C	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
C	1901135	biological_process	carbohydrate derivative metabolic process
D	0006796	biological_process	phosphate-containing compound metabolic process
D	0008759	molecular_function	obsolete UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase activity
D	0009245	biological_process	lipid A biosynthetic process
D	0016787	molecular_function	hydrolase activity
D	0019637	biological_process	organophosphate metabolic process
D	0046872	molecular_function	metal ion binding
D	0103117	molecular_function	UDP-3-O-acyl-N-acetylglucosamine deacetylase activity
D	1901135	biological_process	carbohydrate derivative metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 301

Chain	Residue
A	HIS78
A	HIS237
A	ASP241
A	L59302

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE L59 A 302

Chain	Residue
A	LEU200
A	ARG201
A	GLY209
A	SER210
A	VAL216
A	HIS237
A	ASP241
A	HIS264
A	ZN301
A	PEG308
A	HOH449
A	GLU77
A	HIS78
A	THR190
A	PHE191
A	ILE197

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	ILE243
A	LEU246
A	TYR247
A	ASN251
A	SER252
A	LEU253
A	HOH440

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	PHE149
A	HOH430
A	HOH436

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT A 305

Chain	Residue
A	ARG143
A	ARG258
A	GLY259
A	PHE260
A	HOH498

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 306

Chain	Residue
A	GLU139
A	GLY140
A	ASP141
A	ASP226
C	ASN-1
C	ALA0

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT A 307

Chain	Residue
A	GLU139
A	ARG189
A	ARG229
A	GLN269
A	HOH475
A	HOH551

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PEG A 308

Chain	Residue
A	MET194
A	SER210
A	VAL211
A	L59302

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PEG A 309

Chain	Residue
A	ARG53
A	GLU55
A	SER116
A	LEU249
A	ILE275
A	HOH443

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 301

Chain	Residue
B	HIS78
B	HIS237
B	ASP241
B	L59302

site_id	BC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE L59 B 302

Chain	Residue
B	MET62
B	GLU77
B	HIS78
B	THR190
B	PHE191
B	ILE197
B	LEU200
B	ARG201
B	GLY209
B	SER210
B	VAL216
B	HIS237
B	ASP241
B	HIS264
B	ZN301
B	HOH533

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 303

Chain	Residue
B	PHE152
B	ILE243
B	LEU246
B	TYR247
B	SER252
B	LEU253
B	HOH556
B	HOH576

site_id	BC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE GOL B 304

Chain	Residue
B	HOH443
B	HOH461

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT B 305

Chain	Residue
B	GLU139
B	GLY140
B	ASP141
B	ASP226

site_id	BC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 306

Chain	Residue
B	ARG143
B	VAL145
B	ARG258
B	GLY259
B	PHE260

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE PEG B 307

Chain	Residue
B	THR285
D	LEU207

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PEG B 308

Chain	Residue
B	HOH425
B	HOH594
B	VAL211

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PEG B 309

Chain	Residue
B	GLY108
B	PRO109
B	VAL111
B	SER186
B	ARG272
B	THR273
B	HOH473

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 301

Chain	Residue
C	HIS78
C	HIS237
C	ASP241
C	L59302

site_id	CC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE L59 C 302

Chain	Residue
C	MET62
C	GLU77
C	HIS78
C	THR190
C	PHE191
C	ILE197
C	GLY209
C	SER210
C	VAL216
C	HIS237
C	LYS238
C	ASP241
C	HIS264
C	ZN301

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 303

Chain	Residue
C	ILE243
C	LEU246
C	TYR247
C	ASN251
C	SER252
C	LEU253
C	HOH502

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 304

Chain	Residue
C	ASP104
C	GLY108
C	PRO109
C	VAL111
C	PHE112
C	ARG187
C	ARG272
C	THR273
C	HOH445

site_id	CC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL C 305

Chain	Residue
C	ARG53
C	ILE129
C	LEU249
C	ASN251

site_id	CC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 306

Chain	Residue
C	GLU59
C	SER63
C	ASP74
C	HOH523

site_id	CC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACT C 307

Chain	Residue
C	GLY140
C	LEU228
C	GLU231
C	HOH535

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 301

Chain	Residue
D	HIS78
D	HIS237
D	ASP241
D	L59302

site_id	CC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE L59 D 302

Chain	Residue
D	MET62
D	GLU77
D	HIS78
D	THR190
D	PHE191
D	ILE197
D	ARG201
D	GLY209
D	SER210
D	VAL216
D	HIS237
D	LYS238
D	ASP241
D	HIS264
D	ZN301

site_id	DC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 303

Chain	Residue
D	PHE152
D	ILE243
D	LEU246
D	TYR247
D	SER252
D	LEU253
D	HOH517

site_id	DC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL D 304

Chain	Residue
D	ASP104
D	GLY108
D	PRO109
D	VAL111
D	PHE112
D	ARG187
D	ARG272
D	THR273
D	HOH440

site_id	DC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT D 305

Chain	Residue
D	ALA31
D	GLN122
D	HOH439

site_id	DC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACT D 306

Chain	Residue
D	SER40
D	GLU49
D	GLU94

site_id	DC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NA D 307

Chain	Residue
B	PRO32
B	VAL33
D	ASP70

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000255\|HAMAP-Rule:MF_00388

Chain	Residue	Details
A	HIS264
B	HIS264
C	HIS264
D	HIS264

site_id	SWS_FT_FI2
Number of Residues	12
Details	BINDING: BINDING => ECO:0000255\|HAMAP-Rule:MF_00388

Chain	Residue	Details
A	HIS78
D	HIS78
D	HIS237
D	ASP241
A	HIS237
A	ASP241
B	HIS78
B	HIS237
B	ASP241
C	HIS78
C	HIS237
C	ASP241

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)