Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MQG

crystal structure of the 3-N-acetyl transferase WlbB from Bordetella petrii in complex with acetyl-CoA

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	26
Details	BINDING SITE FOR RESIDUE ACO A 191

Chain	Residue
A	TYR65
A	HOH199
A	HOH225
A	HOH426
A	HOH1172
A	HOH1440
A	HOH1868
B	GLN59
B	PHE75
B	PRO78
B	GLY110
A	THR83
B	ALA111
B	GLY128
B	ALA129
B	ILE151
B	GLN160
B	HOH195
B	HOH1280
A	ASN84
A	VAL85
A	TYR86
A	PRO88
A	ASN134
A	PRO147
A	ARG149

site_id	AC2
Number of Residues	14
Details	BINDING SITE FOR RESIDUE U5P A 192

Chain	Residue
A	TRP23
A	HIS24
A	SER39
A	GLN42
A	LYS57
A	GLN59
A	ASN60
A	HOH448
A	HOH526
A	HOH620
A	HOH1446
C	HIS27
C	PHE45
C	HOH663

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA A 193

Chain	Residue
A	ASN112
A	HOH221
B	ASN112
B	HOH223
C	ASN112
C	HOH225

site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE ACO B 191

Chain	Residue
B	TYR65
B	THR83
B	ASN84
B	VAL85
B	TYR86
B	ASN134
B	PRO147
B	HOH201
B	HOH244
B	HOH270
B	HOH308
B	HOH1341
B	HOH1357
B	HOH1423
B	HOH1893
C	PHE75
C	PRO78
C	GLY110
C	ALA111
C	GLY128
C	ALA129
C	VAL144
C	ILE151
C	GLN160
C	HOH205

site_id	AC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE UDP B 192

Chain	Residue
A	HIS27
A	PHE45
B	ARG21
B	TRP23
B	HIS24
B	SER39
B	GLN42
B	LYS57
B	GLN59
B	ASN60
B	HOH216
B	HOH565
B	HOH595
B	HOH654
B	HOH828
B	HOH1827

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 B 193

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

site_id	AC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE EDO B 194

Chain	Residue
B	HOH723
B	HOH962
B	VAL133
B	ASN134
B	LYS135
B	ASP136
B	VAL137
B	ALA148

site_id	AC8
Number of Residues	26
Details	BINDING SITE FOR RESIDUE ACO C 191

Chain	Residue
A	PHE75
A	PRO78
A	GLY110
A	ALA111
A	GLY128
A	ALA129
A	ILE151
A	GLN160
A	HOH210
C	TYR65
C	THR83
C	ASN84
C	VAL85
C	TYR86
C	PRO88
C	ASN134
C	PRO147
C	ARG149
C	HOH223
C	HOH397
C	HOH488
C	HOH570
C	HOH1022
C	HOH1052
C	HOH1302
C	HOH1845

site_id	AC9
Number of Residues	18
Details	BINDING SITE FOR RESIDUE UDP C 192

Chain	Residue
B	HIS27
B	PHE45
B	LYS95
B	HOH646
C	ARG21
C	TRP23
C	HIS24
C	SER39
C	GLN42
C	GLN59
C	ASN60
C	HOH213
C	HOH229
C	HOH309
C	HOH342
C	HOH1051
C	HOH1208
C	HOH1474

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PE4 C 193

Chain	Residue
C	GLU33
C	ARG51
C	PHE69
C	LEU70
C	ILE102
C	HOH655

site_id	BC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 194

Chain	Residue
C	GLY35
C	ASN54
C	HOH356

site_id	BC3
Number of Residues	27
Details	BINDING SITE FOR RESIDUE ACO D 191

Chain	Residue
D	TYR65
D	THR83
D	ASN84
D	VAL85
D	TYR86
D	PRO88
D	ASN134
D	PRO147
D	ARG149
D	HOH202
D	HOH209
D	HOH220
D	HOH662
D	HOH966
D	HOH1298
D	HOH1346
D	HOH1833
E	GLN59
E	PHE75
E	PRO78
E	GLY110
E	ALA111
E	GLY128
E	ALA129
E	VAL144
E	ILE151
E	GLN160

site_id	BC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE U5P D 192

Chain	Residue
D	TRP23
D	HIS24
D	GLN42
D	ASN60
D	HOH530
D	HOH574
D	HOH1894
F	HIS27
F	PHE45
F	TYR65
F	HOH230

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 193

Chain	Residue
D	ASN112
D	HOH298
E	ASN112
E	HOH260
F	ASN112
F	HOH210

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 194

Chain	Residue
D	GLU71
D	ARG104
D	HOH217

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 D 195

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

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO D 196

Chain	Residue
D	GLY35
D	ASN54
D	HOH297

site_id	BC9
Number of Residues	28
Details	BINDING SITE FOR RESIDUE ACO E 191

Chain	Residue
E	TYR65
E	THR83
E	ASN84
E	VAL85
E	TYR86
E	PRO88
E	ASN134
E	PRO147
E	HOH196
E	HOH215
E	HOH499
E	HOH541
E	HOH981
E	HOH988
E	HOH1249
E	HOH1266
E	HOH1340
E	HOH1353
F	PHE75
F	PRO78
F	GLY110
F	ALA111
F	GLY128
F	ALA129
F	VAL144
F	ILE151
F	GLN160
F	HOH194

site_id	CC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE U5P E 192

Chain	Residue
D	HIS27
D	PHE45
E	TRP23
E	HIS24
E	SER39
E	GLN42
E	GLN59
E	ASN60
E	HOH512
E	HOH549
E	HOH714
E	HOH1243
E	HOH1749
E	HOH1788

site_id	CC2
Number of Residues	25
Details	BINDING SITE FOR RESIDUE ACO F 191

Chain	Residue
D	GLN59
D	PHE75
D	PRO78
D	GLY110
D	ALA111
D	GLY128
D	ALA129
D	ILE151
D	GLN160
F	TYR65
F	THR83
F	ASN84
F	VAL85
F	TYR86
F	PRO88
F	ASN134
F	HOH200
F	HOH224
F	HOH241
F	HOH283
F	HOH515
F	HOH1224
F	HOH1399
F	HOH1475
F	HOH1840

site_id	CC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE UDP F 192

Chain	Residue
F	ARG21
F	TRP23
F	SER39
F	UDP193
F	HOH1033

site_id	CC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE UDP F 193

Chain	Residue
E	HIS27
E	PHE45
E	LYS95
E	HOH354
F	ARG21
F	TRP23
F	HIS24
F	SER39
F	GLN42
F	GLN59
F	ASN60
F	UDP192
F	HOH223
F	HOH402
F	HOH1033
F	HOH1167
F	HOH1181
F	HOH1262
F	HOH1309
F	HOH1331

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