Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MQH

crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with CoA and UDP-3-amino-2-acetamido-2,3-dideoxy glucuronic acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
B	0000166	molecular_function	nucleotide binding
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
C	0000166	molecular_function	nucleotide binding
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
D	0000166	molecular_function	nucleotide binding
D	0016740	molecular_function	transferase activity
D	0016746	molecular_function	acyltransferase activity
E	0000166	molecular_function	nucleotide binding
E	0016740	molecular_function	transferase activity
E	0016746	molecular_function	acyltransferase activity
F	0000166	molecular_function	nucleotide binding
F	0016740	molecular_function	transferase activity
F	0016746	molecular_function	acyltransferase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	31
Details	BINDING SITE FOR RESIDUE MJZ A 191

Chain	Residue
A	TRP23
A	HOH203
A	HOH220
A	HOH322
A	HOH324
A	HOH374
A	HOH445
A	HOH568
A	HOH627
A	HOH671
A	HOH1102
A	HIS24
C	HIS27
C	PHE45
C	TYR65
C	ASN84
C	VAL85
C	GLU93
C	ARG94
C	LYS95
C	TYR98
C	COA191
A	GLN42
C	EDO195
C	HOH215
A	GLN59
A	ASN60
A	PHE75
A	HOH199
A	HOH201
A	HOH202

site_id	AC2
Number of Residues	28
Details	BINDING SITE FOR RESIDUE COA A 192

Chain	Residue
A	THR83
A	ASN84
A	VAL85
A	TYR86
A	ASN134
A	PRO147
A	ARG149
A	HOH198
A	HOH319
A	HOH552
A	HOH914
A	HOH975
A	HOH1055
A	HOH1226
A	HOH1241
A	HOH1345
A	HOH1369
A	HOH1490
B	PHE75
B	GLY110
B	ALA111
B	GLY128
B	ALA129
B	VAL144
B	ILE151
B	GLN160
B	MJZ191
B	HOH196

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO A 193

Chain	Residue
A	ASP66
A	HOH228
A	HOH276
B	MJZ191
B	HOH200

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 194

Chain	Residue
A	ASN112
A	HOH392
B	ASN112
B	HOH607
C	ASN112
C	HOH354

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO A 195

Chain	Residue
A	THR3
A	ARG21
A	ILE22
A	TRP23

site_id	AC6
Number of Residues	33
Details	BINDING SITE FOR RESIDUE MJZ B 191

Chain	Residue
B	HOH261
B	HOH358
B	HOH427
B	HOH493
B	HOH535
B	HOH680
B	HOH1194
B	HOH1300
A	HIS27
A	PHE45
A	TYR65
A	ASN84
A	VAL85
A	GLU93
A	ARG94
A	LYS95
A	TYR98
A	COA192
A	EDO193
B	TRP23
B	HIS24
B	GLN42
B	LYS57
B	GLN59
B	ASN60
B	PHE75
B	HOH197
B	HOH200
B	HOH202
B	HOH206
B	HOH218
B	HOH222
B	HOH245

site_id	AC7
Number of Residues	25
Details	BINDING SITE FOR RESIDUE COA B 192

Chain	Residue
B	THR83
B	ASN84
B	VAL85
B	TYR86
B	ASN134
B	ARG149
B	HOH223
B	HOH229
B	HOH306
B	HOH592
B	HOH616
B	HOH1058
B	HOH1262
B	HOH1296
B	HOH1303
B	HOH1728
C	GLY110
C	ALA111
C	GLY128
C	ALA129
C	VAL144
C	ILE151
C	GLN160
C	MJZ192
C	HOH208

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO B 193

Chain	Residue
B	ASP66
B	HOH208
B	HOH213
C	MJZ192
C	HOH219

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 194

Chain	Residue
B	VAL133
B	ASN134
B	LYS135
B	ASP136
B	VAL137
B	ALA148
B	HOH741
B	HOH2400

site_id	BC1
Number of Residues	26
Details	BINDING SITE FOR RESIDUE COA C 191

Chain	Residue
A	GLY110
A	ALA111
A	GLY128
A	ALA129
A	ILE151
A	GLN160
A	MJZ191
A	HOH208
C	THR83
C	ASN84
C	VAL85
C	TYR86
C	PRO88
C	ASN134
C	PRO147
C	ARG149
C	HOH206
C	HOH338
C	HOH673
C	HOH818
C	HOH842
C	HOH913
C	HOH1051
C	HOH1167
C	HOH2379
C	HOH2390

site_id	BC2
Number of Residues	32
Details	BINDING SITE FOR RESIDUE MJZ C 192

Chain	Residue
B	HIS27
B	PHE45
B	TYR65
B	ASN84
B	VAL85
B	GLU93
B	ARG94
B	LYS95
B	TYR98
B	COA192
B	EDO193
C	TRP23
C	HIS24
C	GLN42
C	GLN59
C	ASN60
C	PHE75
C	HOH207
C	HOH211
C	HOH214
C	HOH217
C	HOH219
C	HOH224
C	HOH228
C	HOH231
C	HOH233
C	HOH320
C	HOH440
C	HOH1255
C	HOH1472
C	HOH2069
C	HOH2276

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 C 193

Chain	Residue
A	ASN112
A	GLY130
B	ASN112
B	GLY130
C	ASN112
C	GLY130

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 194

Chain	Residue
C	ARG15
C	GLY17
C	ILE34
C	HOH827

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO C 195

Chain	Residue
A	MJZ191
C	PHE45
C	ASP66
C	HOH209
C	HOH215
C	HOH225

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 196

Chain	Residue
C	GLY35
C	ASN54
C	HOH316

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PE4 C 197

Chain	Residue
C	GLU33
C	ARG51
C	PHE69
C	ILE102

site_id	BC8
Number of Residues	34
Details	BINDING SITE FOR RESIDUE MJZ D 191

Chain	Residue
D	TRP23
D	HIS24
D	GLN42
D	LYS57
D	GLN59
D	ASN60
D	PHE75
D	HOH201
D	HOH204
D	HOH205
D	HOH221
D	HOH222
D	HOH234
D	HOH241
D	HOH255
D	HOH257
D	HOH331
D	HOH452
D	HOH576
D	HOH1165
D	HOH1295
D	HOH1399
F	HIS27
F	PHE45
F	TYR65
F	ASN84
F	VAL85
F	GLU93
F	ARG94
F	LYS95
F	TYR98
F	COA191
F	EDO194
F	HOH965

site_id	BC9
Number of Residues	25
Details	BINDING SITE FOR RESIDUE COA D 192

Chain	Residue
D	THR83
D	ASN84
D	VAL85
D	TYR86
D	ASN134
D	PRO147
D	ARG149
D	HOH198
D	HOH200
D	HOH217
D	HOH458
D	HOH584
D	HOH684
D	HOH1075
D	HOH1264
D	HOH1307
D	HOH1321
E	GLY110
E	ALA111
E	GLY128
E	ALA129
E	VAL144
E	ILE151
E	GLN160
E	MJZ191

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 193

Chain	Residue
D	ARG15
D	GLY17
D	ILE34
D	EDO195
D	HOH226

site_id	CC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO D 194

Chain	Residue
D	PHE45
D	ASP66
D	HOH212
D	HOH225
D	HOH281
E	MJZ191

site_id	CC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO D 195

Chain	Residue
D	GLY35
D	ASN54
D	EDO193
D	HOH233

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 196

Chain	Residue
D	ASN112
D	HOH1234
E	ASN112
E	HOH554
F	ASN112
F	HOH208

site_id	CC5
Number of Residues	33
Details	BINDING SITE FOR RESIDUE MJZ E 191

Chain	Residue
D	HIS27
D	PHE45
D	TYR65
D	ASN84
D	VAL85
D	GLU93
D	ARG94
D	LYS95
D	TYR98
D	COA192
D	EDO194
D	HOH212
D	HOH1747
E	TRP23
E	HIS24
E	GLN42
E	LYS57
E	GLN59
E	ASN60
E	PHE75
E	HOH196
E	HOH201
E	HOH203
E	HOH207
E	HOH208
E	HOH212
E	HOH225
E	HOH252
E	HOH328
E	HOH357
E	HOH469
E	HOH505
E	HOH1443

site_id	CC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE COA E 192

Chain	Residue
E	ASN84
E	VAL85
E	TYR86
E	ASN134
E	HOH218
E	HOH228
E	HOH483
E	HOH634
E	HOH852
E	HOH1237
E	HOH1418
F	PRO78
F	GLY110
F	ALA111
F	GLY128
F	ALA129
F	VAL144
F	ILE151
F	GLN160
F	MJZ192
F	HOH201

site_id	CC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE EDO E 193

Chain	Residue
E	GLY47
E	ASP66
E	HOH227
E	HOH351
F	MJZ192
F	HOH518

site_id	CC8
Number of Residues	26
Details	BINDING SITE FOR RESIDUE COA F 191

Chain	Residue
D	GLY110
D	ALA111
D	GLY128
D	ALA129
D	VAL144
D	ILE151
D	GLN160
D	MJZ191
F	THR83
F	ASN84
F	VAL85
F	TYR86
F	ASN134
F	PRO147
F	ARG149
F	HOH202
F	HOH213
F	HOH386
F	HOH474
F	HOH893
F	HOH1046
F	HOH1227
F	HOH1243
F	HOH1279
F	HOH1522
F	HOH1535

site_id	CC9
Number of Residues	32
Details	BINDING SITE FOR RESIDUE MJZ F 192

Chain	Residue
E	HIS27
E	PHE45
E	TYR65
E	ASN84
E	VAL85
E	GLU93
E	ARG94
E	LYS95
E	TYR98
E	COA192
E	EDO193
E	HOH233
E	HOH242
E	HOH1683
F	TRP23
F	HIS24
F	GLN42
F	GLN59
F	ASN60
F	PHE75
F	HOH207
F	HOH211
F	HOH214
F	HOH219
F	HOH231
F	HOH265
F	HOH297
F	HOH323
F	HOH441
F	HOH518
F	HOH737
F	HOH883

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 F 193

Chain	Residue
D	ASN112
D	GLY130
E	ASN112
E	GLY130
F	ASN112
F	GLY130

site_id	DC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO F 194

Chain	Residue
D	MJZ191
D	HOH257
F	PHE45
F	GLY47
F	ASP66
F	HOH409
F	HOH432

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