Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5X20

The ternary structure of D-mandelate dehydrogenase with NADH and anilino(oxo)acetate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005737	cellular_component	cytoplasm
A	0008677	molecular_function	2-dehydropantoate 2-reductase activity
A	0015940	biological_process	pantothenate biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0050661	molecular_function	NADP binding
B	0000166	molecular_function	nucleotide binding
B	0005737	cellular_component	cytoplasm
B	0008677	molecular_function	2-dehydropantoate 2-reductase activity
B	0015940	biological_process	pantothenate biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0050661	molecular_function	NADP binding
C	0000166	molecular_function	nucleotide binding
C	0005737	cellular_component	cytoplasm
C	0008677	molecular_function	2-dehydropantoate 2-reductase activity
C	0015940	biological_process	pantothenate biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0050661	molecular_function	NADP binding
D	0000166	molecular_function	nucleotide binding
D	0005737	cellular_component	cytoplasm
D	0008677	molecular_function	2-dehydropantoate 2-reductase activity
D	0015940	biological_process	pantothenate biosynthetic process
D	0016491	molecular_function	oxidoreductase activity
D	0050661	molecular_function	NADP binding
E	0000166	molecular_function	nucleotide binding
E	0005737	cellular_component	cytoplasm
E	0008677	molecular_function	2-dehydropantoate 2-reductase activity
E	0015940	biological_process	pantothenate biosynthetic process
E	0016491	molecular_function	oxidoreductase activity
E	0050661	molecular_function	NADP binding
F	0000166	molecular_function	nucleotide binding
F	0005737	cellular_component	cytoplasm
F	0008677	molecular_function	2-dehydropantoate 2-reductase activity
F	0015940	biological_process	pantothenate biosynthetic process
F	0016491	molecular_function	oxidoreductase activity
F	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	binding site for residue NAD A 401

Chain	Residue
A	GLY9
A	LEU104
A	ASN105
A	TRP129
A	THR130
A	ALA131
A	LEU133
A	ARG270
A	GLU273
A	AOT402
A	GOL405
A	ALA10
A	HOH510
A	HOH512
A	HOH531
A	HOH539
A	HOH548
A	MET11
A	ASP30
A	TRP32
A	PHE77
A	THR78
A	LYS79
A	GLN82

site_id	AC2
Number of Residues	7
Details	binding site for residue AOT A 402

Chain	Residue
A	ASN105
A	MET128
A	LYS187
A	ASN191
A	ASN195
A	SER260
A	NAD401

site_id	AC3
Number of Residues	9
Details	binding site for residue GOL A 403

Chain	Residue
A	ILE107
A	GLY108
A	GLU110
A	HIS181
A	ILE184
A	GLU232
A	LYS284
A	SO4408
A	HOH502

site_id	AC4
Number of Residues	6
Details	binding site for residue GOL A 404

Chain	Residue
A	ARG14
A	THR130
A	ALA131
A	LYS140
A	PHE142
A	HIS257

site_id	AC5
Number of Residues	6
Details	binding site for residue GOL A 405

Chain	Residue
A	GLU134
A	GLY135
A	ASN268
A	ARG270
A	NAD401
A	HOH525

site_id	AC6
Number of Residues	7
Details	binding site for residue GOL A 406

Chain	Residue
A	ASP275
A	ALA280
A	ARG283
A	GOL407
C	GLU84
C	GLN88
C	PHE116

site_id	AC7
Number of Residues	6
Details	binding site for residue GOL A 407

Chain	Residue
A	ASP275
A	GLY279
A	ARG283
A	THR299
A	GOL406
C	GLN88

site_id	AC8
Number of Residues	7
Details	binding site for residue SO4 A 408

Chain	Residue
A	ASP111
A	ARG283
A	LYS284
A	LYS287
A	GOL403
A	HOH508
C	LYS115

site_id	AC9
Number of Residues	3
Details	binding site for residue SO4 A 409

Chain	Residue
A	MET128
A	ARG186
A	HIS244

site_id	AD1
Number of Residues	5
Details	binding site for residue SO4 A 410

Chain	Residue
A	ASN151
A	ASP154
A	GLY155
A	LYS156
A	GLU157

site_id	AD2
Number of Residues	6
Details	binding site for residue GOL A 411

Chain	Residue
A	GLU84
A	GLN88
A	LYS115
C	ASP275
C	ALA280
C	ARG283

site_id	AD3
Number of Residues	21
Details	binding site for residue NAD B 401

Chain	Residue
B	ALA131
B	LEU133
B	ARG270
B	GLU273
B	AOT402
B	GOL405
B	HOH513
B	HOH525
B	GLY9
B	ALA10
B	MET11
B	ASP30
B	TRP32
B	PHE77
B	THR78
B	LYS79
B	GLN82
B	LEU104
B	ASN105
B	TRP129
B	THR130

site_id	AD4
Number of Residues	8
Details	binding site for residue AOT B 402

Chain	Residue
B	ASN105
B	MET128
B	LYS187
B	ASN191
B	ASN195
B	PRO259
B	SER260
B	NAD401

site_id	AD5
Number of Residues	7
Details	binding site for residue GOL B 403

Chain	Residue
B	GLY108
B	GLU110
B	HIS181
B	ILE184
B	GLU232
B	LYS284
B	HOH504

site_id	AD6
Number of Residues	4
Details	binding site for residue GOL B 404

Chain	Residue
B	THR130
B	ALA131
B	PHE142
B	HIS257

site_id	AD7
Number of Residues	5
Details	binding site for residue GOL B 405

Chain	Residue
B	LEU133
B	GLU134
B	ASN268
B	ARG270
B	NAD401

site_id	AD8
Number of Residues	2
Details	binding site for residue SO4 B 406

Chain	Residue
B	ARG186
B	HIS244

site_id	AD9
Number of Residues	6
Details	binding site for residue SO4 B 407

Chain	Residue
B	ASN151
B	GLY153
B	ASP154
B	GLY155
B	LYS156
B	GLU157

site_id	AE1
Number of Residues	4
Details	binding site for residue SO4 B 408

Chain	Residue
A	LYS96
B	HIS20
B	ALA55
B	LYS56

site_id	AE2
Number of Residues	3
Details	binding site for residue SO4 B 409

Chain	Residue
B	LYS286
B	ASP296
B	GLU300

site_id	AE3
Number of Residues	23
Details	binding site for residue NAD C 401

Chain	Residue
C	GLY9
C	ALA10
C	MET11
C	ASP30
C	TRP32
C	PHE77
C	THR78
C	LYS79
C	GLN82
C	LEU104
C	ASN105
C	TRP129
C	THR130
C	ALA131
C	LEU133
C	ARG270
C	GLU273
C	AOT402
C	GOL405
C	HOH510
C	HOH530
C	HOH548
C	HOH564

site_id	AE4
Number of Residues	9
Details	binding site for residue AOT C 402

Chain	Residue
C	ASN105
C	MET128
C	LYS187
C	ASN191
C	ASN195
C	ILE254
C	PRO259
C	SER260
C	NAD401

site_id	AE5
Number of Residues	8
Details	binding site for residue GOL C 403

Chain	Residue
C	ILE107
C	GLY108
C	GLU110
C	HIS181
C	ILE184
C	LYS284
C	SO4407
C	HOH508

site_id	AE6
Number of Residues	6
Details	binding site for residue GOL C 404

Chain	Residue
C	THR130
C	ALA131
C	LYS140
C	PHE142
C	HIS257
C	SO4409

site_id	AE7
Number of Residues	6
Details	binding site for residue GOL C 405

Chain	Residue
C	LEU133
C	GLU134
C	GLY135
C	ASN268
C	NAD401
C	HOH539

site_id	AE8
Number of Residues	4
Details	binding site for residue GOL C 406

Chain	Residue
C	ASN47
C	GLU52
C	GLU134
C	LYS140

site_id	AE9
Number of Residues	6
Details	binding site for residue SO4 C 407

Chain	Residue
A	LYS115
C	ASP111
C	ARG283
C	LYS284
C	LYS287
C	GOL403

site_id	AF1
Number of Residues	2
Details	binding site for residue SO4 C 408

Chain	Residue
C	ARG186
C	HIS244

site_id	AF2
Number of Residues	4
Details	binding site for residue SO4 C 409

Chain	Residue
C	HIS257
C	TYR258
C	GLN263
C	GOL404

site_id	AF3
Number of Residues	4
Details	binding site for residue SO4 C 410

Chain	Residue
C	GLY155
C	LYS156
C	GLU157
C	HOH506

site_id	AF4
Number of Residues	2
Details	binding site for residue SO4 C 411

Chain	Residue
C	SER144
C	HOH561

site_id	AF5
Number of Residues	5
Details	binding site for residue SO4 C 412

Chain	Residue
C	MET128
C	HIS244
C	SER247
C	CYS248
C	THR253

site_id	AF6
Number of Residues	3
Details	binding site for residue SO4 C 413

Chain	Residue
C	HIS20
C	ALA55
C	LYS56

site_id	AF7
Number of Residues	16
Details	binding site for residue NAD D 401

Chain	Residue
D	GLY9
D	ALA10
D	MET11
D	ASP30
D	TRP32
D	PHE77
D	THR78
D	LYS79
D	GLN82
D	ASN105
D	TRP129
D	ALA131
D	LEU133
D	ARG270
D	GLU273
D	AOT402

site_id	AF8
Number of Residues	8
Details	binding site for residue AOT D 402

Chain	Residue
D	ASN105
D	MET128
D	LYS187
D	ASN191
D	ASN195
D	PRO259
D	SER260
D	NAD401

site_id	AF9
Number of Residues	6
Details	binding site for residue GOL D 403

Chain	Residue
D	GLY108
D	GLU110
D	HIS181
D	ILE184
D	TYR185
D	GLU232

site_id	AG1
Number of Residues	6
Details	binding site for residue SO4 D 404

Chain	Residue
D	ASN151
D	GLY153
D	ASP154
D	GLY155
D	LYS156
D	GLU157

site_id	AG2
Number of Residues	4
Details	binding site for residue SO4 D 405

Chain	Residue
D	LYS233
D	HOH516
E	TYR288
E	VAL290

site_id	AG3
Number of Residues	22
Details	binding site for residue NAD E 401

Chain	Residue
E	GLY9
E	ALA10
E	MET11
E	ASP30
E	TRP32
E	PHE77
E	THR78
E	LYS79
E	GLN82
E	ASN105
E	TRP129
E	THR130
E	ALA131
E	LEU133
E	ARG270
E	GLU273
E	AOT402
E	GOL405
E	HOH503
E	HOH515
E	HOH523
E	HOH550

site_id	AG4
Number of Residues	8
Details	binding site for residue AOT E 402

Chain	Residue
E	ASN105
E	MET128
E	LYS187
E	ASN191
E	ASN195
E	CYS248
E	SER260
E	NAD401

site_id	AG5
Number of Residues	8
Details	binding site for residue GOL E 403

Chain	Residue
E	ILE107
E	GLY108
E	GLU110
E	HIS181
E	ILE184
E	GLU232
E	HOH502
E	HOH517

site_id	AG6
Number of Residues	6
Details	binding site for residue GOL E 404

Chain	Residue
E	THR130
E	ALA131
E	GLY132
E	LYS140
E	PHE142
E	HIS257

site_id	AG7
Number of Residues	6
Details	binding site for residue GOL E 405

Chain	Residue
E	LEU133
E	GLU134
E	GLY135
E	ASN268
E	ARG270
E	NAD401

site_id	AG8
Number of Residues	2
Details	binding site for residue SO4 E 406

Chain	Residue
E	LYS284
E	LYS287

site_id	AG9
Number of Residues	4
Details	binding site for residue SO4 E 407

Chain	Residue
E	ASN151
E	ASP154
E	GLY155
E	GLU157

site_id	AH1
Number of Residues	5
Details	binding site for residue GOL F 401

Chain	Residue
F	VAL190
F	ASN191
F	ASN195
F	PRO259
F	SER260

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