Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5A02

Crystal structure of aldose-aldose oxidoreductase from Caulobacter crescentus complexed with glycerol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
F	0000166	molecular_function	nucleotide binding
F	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	36
Details	BINDING SITE FOR RESIDUE NAP A 1340

Chain	Residue
A	GLY13
A	TYR62
A	ILE80
A	THR81
A	PRO82
A	ASN83
A	LEU85
A	HIS86
A	GLU103
A	LYS104
A	GLY130
A	LEU14
A	ARG132
A	TRP171
A	ARG172
A	TYR189
A	TYR267
A	GOL1341
A	HOH2002
A	HOH2009
A	HOH2045
A	HOH2101
A	GLY15
A	HOH2147
A	HOH2191
A	HOH2193
A	HOH2311
A	HOH2312
A	HOH2313
A	HOH2314
A	TYR16
A	TYR17
A	SER39
A	GLY40
A	THR41
A	LYS44

site_id	AC2
Number of Residues	38
Details	BINDING SITE FOR RESIDUE NAP B 1340

Chain	Residue
B	GLY13
B	LEU14
B	GLY15
B	TYR16
B	TYR17
B	SER39
B	GLY40
B	THR41
B	LYS44
B	TYR62
B	ILE80
B	THR81
B	PRO82
B	ASN83
B	LEU85
B	HIS86
B	GLU103
B	LYS104
B	GLY130
B	ARG132
B	TRP171
B	ARG172
B	TYR189
B	TYR267
B	GOL1342
B	HOH2002
B	HOH2005
B	HOH2025
B	HOH2076
B	HOH2169
B	HOH2172
B	HOH2288
B	HOH2289
B	HOH2290
B	HOH2291
C	ASP66
C	HOH2054
C	HOH2056

site_id	AC3
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAP C 1340

Chain	Residue
C	ARG172
C	TYR189
C	TYR267
C	GOL1341
C	SO41344
C	HOH2003
C	HOH2006
C	HOH2025
C	HOH2070
C	HOH2152
C	HOH2273
C	HOH2274
B	GLU63
B	HOH2059
B	HOH2061
C	GLY13
C	LEU14
C	GLY15
C	TYR16
C	TYR17
C	SER39
C	GLY40
C	THR41
C	LYS44
C	TYR62
C	ILE80
C	THR81
C	PRO82
C	ASN83
C	LEU85
C	HIS86
C	GLU103
C	LYS104
C	PRO105
C	GLY130
C	ARG132
C	TRP171

site_id	AC4
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAP D 1340

Chain	Residue
D	LEU14
D	GLY15
D	TYR16
D	TYR17
D	SER39
D	GLY40
D	THR41
D	LYS44
D	TYR62
D	ILE80
D	THR81
D	PRO82
D	ASN83
D	LEU85
D	HIS86
D	GLU103
D	LYS104
D	GLY130
D	ARG132
D	TRP171
D	ARG172
D	TYR189
D	TYR267
D	GOL1341
D	HOH2002
D	HOH2006
D	HOH2060
D	HOH2135
D	HOH2138
D	HOH2211
D	HOH2212

site_id	AC5
Number of Residues	34
Details	BINDING SITE FOR RESIDUE NAP E 1340

Chain	Residue
E	GLY13
E	LEU14
E	GLY15
E	TYR16
E	TYR17
E	SER39
E	GLY40
E	THR41
E	LYS44
E	TYR62
E	ILE80
E	THR81
E	PRO82
E	ASN83
E	LEU85
E	HIS86
E	GLU103
E	LYS104
E	GLY130
E	ARG132
E	TRP171
E	ARG172
E	TYR189
E	TYR267
E	GOL1341
E	SO41346
E	HOH2001
E	HOH2006
E	HOH2052
E	HOH2129
E	HOH2131
E	HOH2214
E	HOH2215
E	HOH2216

site_id	AC6
Number of Residues	37
Details	BINDING SITE FOR RESIDUE NAP F 1340

Chain	Residue
F	LEU14
F	GLY15
F	TYR16
F	TYR17
F	SER39
F	GLY40
F	THR41
F	LYS44
F	TYR62
F	ILE80
F	THR81
F	PRO82
F	ASN83
F	LEU85
F	HIS86
F	GLU103
F	LYS104
F	GLY130
F	ARG132
F	TRP171
F	ARG172
F	TYR189
F	TYR267
F	GOL1342
F	HOH2002
F	HOH2005
F	HOH2025
F	HOH2055
F	HOH2090
F	HOH2133
F	HOH2136
F	HOH2223
F	HOH2224
F	HOH2225
F	HOH2226
F	HOH2227
F	HOH2228

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 1341

Chain	Residue
F	HIS138
F	MET272
F	ARG283
F	GLU284
F	HOH2192
F	HOH2230

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL F 1342

Chain	Residue
F	LYS104
F	PHE163
F	ARG172
F	ASP185
F	TYR189
F	NAP1340
F	HOH2135

site_id	AC9
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL B 1341

Chain	Residue
B	HIS138
B	GLN270
B	ALA271
B	MET272
B	PRO282
B	ARG283
B	GLU284
B	HOH2248
C	PRO279

site_id	BC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 1341

Chain	Residue
C	LYS104
C	PHE163
C	ARG172
C	ASP185
C	TYR189
C	NAP1340
C	HOH2275

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1341

Chain	Residue
A	LYS104
A	PHE163
A	ARG172
A	ASP185
A	TYR189
A	NAP1340
A	HOH2315

site_id	BC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 1341

Chain	Residue
D	LYS104
D	PHE163
D	ARG172
D	ASP185
D	TYR189
D	NAP1340
D	HOH2137

site_id	BC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 1341

Chain	Residue
E	LYS104
E	PHE163
E	ARG172
E	ASP185
E	TYR189
E	NAP1340
E	HOH2217

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 1342

Chain	Residue
A	LEU230
A	LYS338
A	HOH2308
E	GLU209
E	ALA331
E	HOH2218

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 1342

Chain	Residue
B	LYS104
B	PHE163
B	ARG172
B	ASP185
B	TYR189
B	NAP1340
B	HOH2171

site_id	BC7
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1342

Chain	Residue
A	TYR48
A	GLN51
A	HOH2010
A	HOH2011
A	HOH2316
A	HOH2317
F	PRO282

site_id	BC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL E 1343

Chain	Residue
E	GLN136
E	ALA137
E	TYR267
E	GLN292
E	HOH2095
E	HOH2219

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL E 1344

Chain	Residue
A	ARG155
A	PRO255
A	HOH2174
E	ASP212
E	ASP215
E	SER244
E	HOH2164

site_id	CC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 1342

Chain	Residue
B	ARG155
B	HOH2156
D	ASP212
D	ASP215
D	SER244
D	HOH2167

site_id	CC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL F 1343

Chain	Residue
C	ARG155
C	PRO255
C	HOH2138
F	ASP212
F	ASP215
F	ARG217
F	SER244
F	HOH2232

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL F 1344

Chain	Residue
C	LYS338
C	HOH2272
F	VAL208
F	GLU209
F	ALA331
F	HOH2233

site_id	CC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL D 1343

Chain	Residue
B	ARG251
B	TRP258
B	GLU260
B	ARG273
D	ASP262
D	PRO263

site_id	CC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 1345

Chain	Residue
E	ILE165
E	GLY166
E	ASP167
E	GLN170
E	HOH2128

site_id	CC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 1344

Chain	Residue
D	LYS290
D	ASN291
D	HOH2185

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1343

Chain	Residue
A	ILE165
A	GLY166
A	ASP167
A	GLN170
A	HOH2189

site_id	CC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 1345

Chain	Residue
D	ILE165
D	GLY166
D	ASP167
D	GLN170

site_id	CC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1342

Chain	Residue
C	ILE165
C	GLY166
C	ASP167
C	GLN170

site_id	DC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 1343

Chain	Residue
C	GLU28
C	LYS290
C	ASN291
C	HOH2248

site_id	DC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 C 1344

Chain	Residue
B	HOH2061
C	GLN170
C	TRP171
C	NAP1340
C	HOH2152
C	HOH2274

site_id	DC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 E 1346

Chain	Residue
E	GLN170
E	TRP171
E	NAP1340
E	HOH2126
E	HOH2129
E	HOH2216

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