Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4FW7

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0006796	biological_process	phosphate-containing compound metabolic process
A	0008759	molecular_function	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	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	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	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	L63302

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE L63 A 302

Chain	Residue
A	ILE197
A	ARG201
A	ALA206
A	GLY209
A	SER210
A	HIS237
A	LYS238
A	ASP241
A	HIS264
A	ZN301
A	GOL304
A	MET62
A	GLU77
A	HIS78
A	THR190
A	PHE191

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	PHE152
A	ILE243
A	LEU246
A	TYR247
A	SER252
A	LEU253
A	HOH442
A	HOH443
A	HOH551

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	PHE191
A	GLY192
A	PHE193
A	ASP196
A	L63302
A	HOH560

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

Chain	Residue
A	SER40
A	VAL47
A	GLU49
A	TYR92
A	GLU94

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 306

Chain	Residue
A	GLU138
A	GLY140
A	LEU228
A	ARG229
A	TYR230
A	GLU231
A	HOH423
D	ASP288
D	ARG290

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACT A 307

Chain	Residue
A	ARG201
A	HOH571

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

Chain	Residue
A	ASP218
A	ARG221
D	ASP34
D	HOH432

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 401

Chain	Residue
B	ASP218
B	ARG221
C	ASP34
C	GLU123
C	HOH429

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 402

Chain	Residue
B	HIS78
B	HIS237
B	ASP241
B	L63403

site_id	BC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE L63 B 403

Chain	Residue
B	MET62
B	GLU77
B	HIS78
B	THR190
B	PHE191
B	ILE197
B	ARG201
B	ALA206
B	GLY209
B	SER210
B	HIS237
B	LYS238
B	ASP241
B	HIS264
B	ZN402

site_id	BC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 404

Chain	Residue
B	PHE152
B	ILE243
B	LEU246
B	TYR247
B	SER252
B	LEU253
B	GOL407
B	HOH517
B	HOH583
B	HOH631

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL B 405

Chain	Residue
B	MET194
B	ARG201
B	SER210
B	VAL211

site_id	BC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL B 406

Chain	Residue
B	ARG272
B	THR273
B	HOH616
B	HOH629
B	GLY108
B	PRO109
B	VAL111
B	PHE112
B	SER186
B	GLN269

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 407

Chain	Residue
B	GLY85
B	PHE152
B	PHE176
B	PHE181
B	SER295
B	TYR296
B	GOL404
B	HOH676

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL B 408

Chain	Residue
B	ARG53
B	LEU249
B	TRP281
B	HOH543
B	HOH554
B	HOH680

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 409

Chain	Residue
B	SER155
B	GLU157
B	GLN171
B	GLY259
B	ACT410

site_id	BC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACT B 410

Chain	Residue
B	ARG143
B	ARG258
B	GLY259
B	PHE260
B	ACT409

site_id	CC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 411

Chain	Residue
B	SER40
B	THR42
B	VAL47
B	GLU49
B	TYR92
B	GLU94
B	HOH654
B	HOH677

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN C 301

Chain	Residue
C	HIS78
C	HIS237
C	ASP241
C	L63302

site_id	CC3
Number of Residues	14
Details	BINDING SITE FOR RESIDUE L63 C 302

Chain	Residue
C	MET62
C	GLU77
C	HIS78
C	THR190
C	PHE191
C	GLY192
C	GLY209
C	VAL216
C	HIS237
C	ASP241
C	HIS264
C	ZN301
C	HOH414
C	HOH563

site_id	CC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL C 303

Chain	Residue
C	PHE152
C	ILE243
C	LEU246
C	TYR247
C	SER252
C	LEU253
C	HOH435
C	HOH441
C	HOH446

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 304

Chain	Residue
C	ALA31
C	PRO32
C	GLN122
C	HOH425
C	HOH439

site_id	CC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL C 305

Chain	Residue
C	ARG53
C	ILE129
C	LEU249
C	ASN251
C	TRP281
C	HOH535

site_id	CC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL C 306

Chain	Residue
C	ASP104
C	SER106
C	GLY108
C	PRO109
C	ARG187
C	ARG229
C	GLN269
C	ARG272
C	THR273
C	HOH450
C	HOH518

site_id	CC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE GOL C 307

Chain	Residue
C	GLU55
C	VAL57
C	ARG272

site_id	CC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT C 308

Chain	Residue
A	LYS23
C	LYS29
C	SER40
C	GLU49
C	TYR92
C	GLU94

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 301

Chain	Residue
D	HIS78
D	HIS237
D	ASP241
D	L63302

site_id	DC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE L63 D 302

Chain	Residue
D	MET62
D	GLU77
D	HIS78
D	THR190
D	PHE191
D	GLY192
D	ILE197
D	GLY209
D	VAL216
D	HIS237
D	ASP241
D	HIS264
D	ZN301

site_id	DC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GOL D 303

Chain	Residue
D	PHE152
D	ILE243
D	LEU246
D	TYR247
D	SER252
D	LEU253
D	TYR296
D	HOH435
D	HOH446
D	HOH535

site_id	DC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 304

Chain	Residue
D	ARG53
D	ILE129
D	LEU249
D	ASN251
D	TRP281
D	HOH422
D	HOH577

site_id	DC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 305

Chain	Residue
B	LYS23
D	LYS29
D	SER40
D	GLU49
D	TYR92
D	GLU94

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)