Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6IXJ

The crystal structure of sulfoacetaldehyde reductase from Klebsiella oxytoca

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005829	cellular_component	cytosol
A	0016491	molecular_function	oxidoreductase activity
B	0005829	cellular_component	cytosol
B	0016491	molecular_function	oxidoreductase activity
C	0005829	cellular_component	cytosol
C	0016491	molecular_function	oxidoreductase activity
D	0005829	cellular_component	cytosol
D	0016491	molecular_function	oxidoreductase activity
E	0005829	cellular_component	cytosol
E	0016491	molecular_function	oxidoreductase activity
F	0005829	cellular_component	cytosol
F	0016491	molecular_function	oxidoreductase activity
G	0005829	cellular_component	cytosol
G	0016491	molecular_function	oxidoreductase activity
H	0005829	cellular_component	cytosol
H	0016491	molecular_function	oxidoreductase activity
I	0005829	cellular_component	cytosol
I	0016491	molecular_function	oxidoreductase activity
J	0005829	cellular_component	cytosol
J	0016491	molecular_function	oxidoreductase activity
K	0005829	cellular_component	cytosol
K	0016491	molecular_function	oxidoreductase activity
L	0005829	cellular_component	cytosol
L	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	binding site for residue NDP A 301

Chain	Residue
A	GLY11
A	VAL61
A	ARG62
A	ASN87
A	ALA88
A	GLY89
A	THR111
A	ILE139
A	GLY140
A	SER141
A	TYR154
A	THR13
A	LYS158
A	PRO184
A	GLY185
A	ALA187
A	THR189
A	GLU190
A	PHE191
A	8X3302
A	HOH401
A	HOH405
A	SER14
A	HOH407
A	GLY15
A	PHE16
A	ARG36
A	ARG37
A	LEU59
A	ASP60

site_id	AC2
Number of Residues	6
Details	binding site for residue 8X3 A 302

Chain	Residue
A	SER141
A	TYR148
A	TYR154
A	ARG195
A	NDP301
A	HOH404

site_id	AC3
Number of Residues	27
Details	binding site for residue NDP B 301

Chain	Residue
B	GLY11
B	THR13
B	SER14
B	GLY15
B	PHE16
B	ARG36
B	ARG37
B	LEU59
B	ASP60
B	VAL61
B	ARG62
B	ASN87
B	GLY89
B	THR111
B	GLY140
B	SER141
B	TYR154
B	LYS158
B	PRO184
B	GLY185
B	ALA187
B	THR189
B	GLU190
B	PHE191
B	8X3302
B	HOH403
B	HOH412

site_id	AC4
Number of Residues	8
Details	binding site for residue 8X3 B 302

Chain	Residue
B	SER141
B	TYR148
B	TYR154
B	PHE191
B	ARG195
B	NDP301
B	HOH401
B	HOH412

site_id	AC5
Number of Residues	31
Details	binding site for residue NDP C 301

Chain	Residue
C	HOH406
C	HOH414
C	HOH420
C	GLY11
C	THR13
C	SER14
C	GLY15
C	PHE16
C	ARG36
C	ARG37
C	LEU59
C	ASP60
C	VAL61
C	ARG62
C	ASN87
C	ALA88
C	GLY89
C	THR111
C	ILE139
C	GLY140
C	SER141
C	TYR154
C	LYS158
C	PRO184
C	GLY185
C	ALA187
C	THR189
C	GLU190
C	PHE191
C	8X3302
C	HOH404

site_id	AC6
Number of Residues	7
Details	binding site for residue 8X3 C 302

Chain	Residue
C	SER141
C	TYR148
C	TYR154
C	ARG195
C	NDP301
C	HOH406
C	HOH413

site_id	AC7
Number of Residues	34
Details	binding site for residue NDP D 301

Chain	Residue
D	GLY11
D	THR13
D	SER14
D	GLY15
D	PHE16
D	ARG36
D	ARG37
D	LEU59
D	ASP60
D	VAL61
D	ARG62
D	ASN87
D	ALA88
D	GLY89
D	THR111
D	ILE139
D	GLY140
D	SER141
D	TYR154
D	LYS158
D	PRO184
D	GLY185
D	ILE186
D	ALA187
D	THR189
D	GLU190
D	PHE191
D	8X3302
D	HOH401
D	HOH402
D	HOH403
D	HOH406
D	HOH409
D	HOH419

site_id	AC8
Number of Residues	7
Details	binding site for residue 8X3 D 302

Chain	Residue
D	SER141
D	TYR148
D	TYR154
D	ILE186
D	PHE191
D	ARG195
D	NDP301

site_id	AC9
Number of Residues	28
Details	binding site for residue NDP E 301

Chain	Residue
E	GLY11
E	THR13
E	SER14
E	GLY15
E	PHE16
E	ARG36
E	ARG37
E	LEU59
E	ASP60
E	VAL61
E	ARG62
E	ASN87
E	ALA88
E	GLY89
E	THR111
E	ILE139
E	GLY140
E	SER141
E	TYR154
E	LYS158
E	PRO184
E	GLY185
E	ALA187
E	THR189
E	GLU190
E	PHE191
E	8X3302
E	HOH409

site_id	AD1
Number of Residues	5
Details	binding site for residue 8X3 E 302

Chain	Residue
E	SER141
E	TYR148
E	PHE191
E	NDP301
E	HOH412

site_id	AD2
Number of Residues	7
Details	binding site for residue 8X3 F 302

Chain	Residue
F	SER141
F	ILE142
F	TYR148
F	TYR154
F	PHE191
F	NDP301
F	HOH408

site_id	AD3
Number of Residues	10
Details	binding site for residue 8X3 G 302

Chain	Residue
G	SER141
G	TYR148
G	TYR154
G	ILE186
G	PHE191
G	ARG195
G	NDP301
G	HOH402
G	HOH409
G	HOH413

site_id	AD4
Number of Residues	7
Details	binding site for residue 8X3 H 302

Chain	Residue
H	SER141
H	TYR148
H	TYR154
H	ILE186
H	PHE191
H	NDP301
H	HOH406

site_id	AD5
Number of Residues	27
Details	binding site for residue NDP I 301

Chain	Residue
I	GLY11
I	ALA12
I	THR13
I	SER14
I	GLY15
I	PHE16
I	GLY35
I	ARG36
I	ARG37
I	LEU59
I	ASP60
I	VAL61
I	ARG62
I	ASN87
I	ALA88
I	GLY89
I	ILE139
I	GLY140
I	SER141
I	TYR154
I	LYS158
I	PRO184
I	GLY185
I	ALA187
I	THR189
I	PHE191
I	8X3302

site_id	AD6
Number of Residues	8
Details	binding site for residue 8X3 I 302

Chain	Residue
I	SER141
I	ILE142
I	TYR148
I	PRO184
I	GLY185
I	PHE191
I	ARG195
I	NDP301

site_id	AD7
Number of Residues	8
Details	binding site for residue 8X3 J 302

Chain	Residue
J	TYR148
J	TYR154
J	GLY185
J	ILE186
J	PHE191
J	NDP301
J	HOH401
J	HOH408

site_id	AD8
Number of Residues	6
Details	binding site for residue 8X3 K 302

Chain	Residue
K	SER141
K	TYR148
K	TYR154
K	ILE186
K	PHE191
K	NDP301

site_id	AD9
Number of Residues	9
Details	binding site for residue 8X3 L 302

Chain	Residue
L	SER141
L	ILE142
L	TYR148
L	TYR154
L	GLY185
L	ILE186
L	PHE191
L	ARG195
L	NDP301

site_id	AE1
Number of Residues	38
Details	binding site for Di-peptide NDP F 301 and LYS F 158

Chain	Residue
F	GLY11
F	ALA12
F	THR13
F	SER14
F	GLY15
F	PHE16
F	ARG36
F	ARG37
F	LEU59
F	ASP60
F	VAL61
F	ARG62
F	ASN87
F	ALA88
F	GLY89
F	THR111
F	ILE139
F	GLY140
F	SER141
F	GLY144
F	TYR154
F	GLY155
F	ALA156
F	SER157
F	ALA159
F	PHE160
F	VAL161
F	LYS162
F	PRO184
F	GLY185
F	ALA187
F	THR189
F	GLU190
F	PHE191
F	8X3302
F	HOH402
F	HOH405
F	HOH408

site_id	AE2
Number of Residues	29
Details	binding site for Di-peptide NDP G 301 and ARG G 36

Chain	Residue
G	GLY11
G	THR13
G	SER14
G	GLY15
G	PHE16
G	GLY35
G	ARG37
G	PHE38
G	LEU59
G	ASP60
G	VAL61
G	ARG62
G	ASN87
G	GLY89
G	THR111
G	ILE139
G	GLY140
G	SER141
G	TYR154
G	LYS158
G	PRO184
G	GLY185
G	ALA187
G	THR189
G	GLU190
G	PHE191
G	8X3302
G	HOH404
G	HOH406

site_id	AE3
Number of Residues	26
Details	binding site for Di-peptide NDP H 301 and ASP H 60

Chain	Residue
H	GLY11
H	THR13
H	SER14
H	PHE16
H	ARG36
H	ARG37
H	LEU59
H	VAL61
H	ARG62
H	ASP63
H	ASN87
H	ALA88
H	GLY89
H	THR111
H	GLY140
H	SER141
H	TYR154
H	LYS158
H	PRO184
H	GLY185
H	ILE186
H	ALA187
H	THR189
H	GLU190
H	PHE191
H	8X3302

site_id	AE4
Number of Residues	28
Details	binding site for Di-peptide NDP J 301 and ARG J 36

Chain	Residue
J	GLY11
J	THR13
J	SER14
J	GLY15
J	PHE16
J	GLY35
J	ARG37
J	PHE38
J	LEU59
J	ASP60
J	VAL61
J	ARG62
J	ASN87
J	ALA88
J	GLY89
J	ILE139
J	GLY140
J	SER141
J	TYR154
J	LYS158
J	PRO184
J	GLY185
J	ILE186
J	ALA187
J	THR189
J	GLU190
J	PHE191
J	8X3302

site_id	AE5
Number of Residues	31
Details	binding site for Di-peptide NDP J 301 and ARG J 37

Chain	Residue
J	GLY11
J	THR13
J	SER14
J	GLY15
J	PHE16
J	GLY35
J	ARG36
J	PHE38
J	GLU39
J	ARG40
J	LEU41
J	LEU59
J	ASP60
J	VAL61
J	ARG62
J	ASN87
J	ALA88
J	GLY89
J	ILE139
J	GLY140
J	SER141
J	TYR154
J	LYS158
J	PRO184
J	GLY185
J	ILE186
J	ALA187
J	THR189
J	GLU190
J	PHE191
J	8X3302

site_id	AE6
Number of Residues	34
Details	binding site for Di-peptide NDP K 301 and LYS K 158

Chain	Residue
K	GLY11
K	ALA12
K	THR13
K	SER14
K	GLY15
K	PHE16
K	GLY35
K	ARG36
K	ARG37
K	LEU59
K	ASP60
K	VAL61
K	ARG62
K	ASN87
K	GLY89
K	THR111
K	ILE139
K	GLY140
K	SER141
K	TYR154
K	GLY155
K	ALA156
K	SER157
K	ALA159
K	PHE160
K	VAL161
K	LYS162
K	PRO184
K	GLY185
K	ALA187
K	THR189
K	PHE191
K	8X3302
K	HOH402

site_id	AE7
Number of Residues	27
Details	binding site for Di-peptide NDP K 301 and ARG K 36

Chain	Residue
K	GLY11
K	ALA12
K	THR13
K	SER14
K	GLY15
K	PHE16
K	GLY35
K	ARG37
K	PHE38
K	LEU59
K	ASP60
K	VAL61
K	ARG62
K	ASN87
K	GLY89
K	THR111
K	ILE139
K	GLY140
K	SER141
K	TYR154
K	LYS158
K	PRO184
K	GLY185
K	ALA187
K	THR189
K	PHE191
K	8X3302

site_id	AE8
Number of Residues	29
Details	binding site for Di-peptide NDP L 301 and ARG L 36

Chain	Residue
L	GLY11
L	THR13
L	SER14
L	PHE16
L	GLY35
L	ARG37
L	PHE38
L	LEU59
L	ASP60
L	VAL61
L	ARG62
L	ASN87
L	ALA88
L	GLY89
L	THR111
L	ILE139
L	GLY140
L	SER141
L	TYR154
L	LYS158
L	PRO184
L	GLY185
L	ALA187
L	THR189
L	GLU190
L	PHE191
L	8X3302
L	HOH402
L	HOH403

Functional Information from PROSITE/UniProt

site_id	PS00061
Number of Residues	29
Details	ADH_SHORT Short-chain dehydrogenases/reductases family signature. SiagqwpypgShvYGASKAFVkQFSyNLR

Chain	Residue	Details
A	SER141-ARG169

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	ACT_SITE: Proton acceptor => ECO:0000255\|PROSITE-ProRule:PRU10001

Chain	Residue	Details
A	TYR154
J	TYR154
K	TYR154
L	TYR154
B	TYR154
C	TYR154
D	TYR154
E	TYR154
F	TYR154
G	TYR154
H	TYR154
I	TYR154

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	PHE8
E	SER141
F	PHE8
F	SER141
G	PHE8
G	SER141
H	PHE8
H	SER141
I	PHE8
I	SER141
J	PHE8
A	SER141
J	SER141
K	PHE8
K	SER141
L	PHE8
L	SER141
B	PHE8
B	SER141
C	PHE8
C	SER141
D	PHE8
D	SER141
E	PHE8

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