Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6T6N

Crystal structure of Klebsiella pneumoniae FabG2(NADH-dependent) in complex with NADH at 2.5 A resolution

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
A	0016491	molecular_function	oxidoreductase activity
A	0032787	biological_process	monocarboxylic acid metabolic process
B	0000166	molecular_function	nucleotide binding
B	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
B	0016491	molecular_function	oxidoreductase activity
B	0032787	biological_process	monocarboxylic acid metabolic process
C	0000166	molecular_function	nucleotide binding
C	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
C	0016491	molecular_function	oxidoreductase activity
C	0032787	biological_process	monocarboxylic acid metabolic process
D	0000166	molecular_function	nucleotide binding
D	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
D	0016491	molecular_function	oxidoreductase activity
D	0032787	biological_process	monocarboxylic acid metabolic process
E	0000166	molecular_function	nucleotide binding
E	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
E	0016491	molecular_function	oxidoreductase activity
E	0032787	biological_process	monocarboxylic acid metabolic process
F	0000166	molecular_function	nucleotide binding
F	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
F	0016491	molecular_function	oxidoreductase activity
F	0032787	biological_process	monocarboxylic acid metabolic process
G	0000166	molecular_function	nucleotide binding
G	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
G	0016491	molecular_function	oxidoreductase activity
G	0032787	biological_process	monocarboxylic acid metabolic process
H	0000166	molecular_function	nucleotide binding
H	0004316	molecular_function	3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity
H	0016491	molecular_function	oxidoreductase activity
H	0032787	biological_process	monocarboxylic acid metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue GOL A 301

Chain	Residue
A	ALA141
A	TRP143
A	ASN237
A	MET242
A	VAL243
A	LEU244

site_id	AC2
Number of Residues	25
Details	binding site for residue NAI A 302

Chain	Residue
A	ILE17
A	ASP36
A	ARG37
A	CYS60
A	ASN61
A	ILE62
A	ASN88
A	ALA89
A	GLY90
A	VAL111
A	ILE138
A	ALA139
A	SER140
A	TYR152
A	LYS156
A	PRO182
A	GLY183
A	ILE185
A	THR187
A	MET189
A	THR190
A	HOH409
A	GLY12
A	ALA14
A	GLY16

site_id	AC3
Number of Residues	3
Details	binding site for residue GOL B 301

Chain	Residue
B	ALA14
B	HIS40
B	ALA44

site_id	AC4
Number of Residues	3
Details	binding site for residue GOL B 302

Chain	Residue
B	ARG229
C	TYR209
C	GLU212

site_id	AC5
Number of Residues	25
Details	binding site for residue NAI B 303

Chain	Residue
B	GLY12
B	ALA14
B	ARG15
B	GLY16
B	ILE17
B	ASP36
B	ARG37
B	CYS60
B	ASN61
B	ILE62
B	ASN88
B	ALA89
B	GLY90
B	VAL111
B	ILE138
B	ALA139
B	SER140
B	TYR152
B	LYS156
B	PRO182
B	GLY183
B	PHE184
B	ILE185
B	THR187
B	THR190

site_id	AC6
Number of Residues	3
Details	binding site for residue GOL C 301

Chain	Residue
C	ALA14
C	ARG15
C	HIS40

site_id	AC7
Number of Residues	7
Details	binding site for residue GOL C 302

Chain	Residue
C	ALA141
C	TRP143
C	ASN237
C	MET242
C	VAL243
C	LEU244
C	HOH419

site_id	AC8
Number of Residues	3
Details	binding site for residue GOL C 303

Chain	Residue
C	LYS99
C	LEU100
D	LYS65

site_id	AC9
Number of Residues	26
Details	binding site for residue NAI C 304

Chain	Residue
C	HOH403
C	HOH418
C	GLY12
C	ALA14
C	ARG15
C	GLY16
C	ILE17
C	ASP36
C	ARG37
C	CYS60
C	ASN61
C	ILE62
C	ASN88
C	GLY90
C	VAL111
C	ILE138
C	ALA139
C	SER140
C	TYR152
C	LYS156
C	PRO182
C	GLY183
C	ILE185
C	THR187
C	THR190
C	HOH402

site_id	AD1
Number of Residues	3
Details	binding site for residue GOL D 301

Chain	Residue
D	ALA14
D	ARG15
D	HIS40

site_id	AD2
Number of Residues	6
Details	binding site for residue GOL D 302

Chain	Residue
D	ALA141
D	TRP143
D	LEU144
D	ASN237
D	MET242
D	LEU244

site_id	AD3
Number of Residues	6
Details	binding site for residue GOL D 303

Chain	Residue
D	ARG37
D	ASN61
D	THR107
D	ASP110
D	HOH415
H	HIS40

site_id	AD4
Number of Residues	28
Details	binding site for residue NAI D 304

Chain	Residue
D	GLY12
D	ARG15
D	GLY16
D	ILE17
D	ASP36
D	ARG37
D	CYS60
D	ASN61
D	ILE62
D	ASN88
D	ALA89
D	GLY90
D	VAL111
D	ILE138
D	ALA139
D	SER140
D	TYR152
D	LYS156
D	PRO182
D	GLY183
D	ILE185
D	THR187
D	THR190
D	HOH404
D	HOH407
D	HOH410
D	HOH427
D	HOH440

site_id	AD5
Number of Residues	7
Details	binding site for residue GOL E 301

Chain	Residue
E	ALA141
E	TRP143
E	LEU144
E	ASN237
E	MET242
E	VAL243
E	LEU244

site_id	AD6
Number of Residues	4
Details	binding site for residue GOL E 302

Chain	Residue
E	ALA14
E	ARG15
E	HIS40
E	SER47

site_id	AD7
Number of Residues	25
Details	binding site for residue NAI E 303

Chain	Residue
E	GLY12
E	ALA14
E	ARG15
E	GLY16
E	ILE17
E	ASP36
E	ARG37
E	CYS60
E	ASN61
E	ILE62
E	ASN88
E	GLY90
E	ILE91
E	VAL111
E	ILE138
E	ALA139
E	SER140
E	TYR152
E	LYS156
E	PRO182
E	GLY183
E	ILE185
E	THR187
E	THR190
E	HOH409

site_id	AD8
Number of Residues	5
Details	binding site for residue GOL F 301

Chain	Residue
F	ALA141
F	TRP143
F	ASN237
F	MET242
F	LEU244

site_id	AD9
Number of Residues	1
Details	binding site for residue GOL F 302

Chain	Residue
F	LEU144

site_id	AE1
Number of Residues	26
Details	binding site for residue NAI F 303

Chain	Residue
F	GLY12
F	ALA14
F	ARG15
F	GLY16
F	ILE17
F	ASP36
F	ARG37
F	CYS60
F	ASN61
F	ILE62
F	ASN88
F	ALA89
F	GLY90
F	ILE91
F	VAL111
F	ILE138
F	ALA139
F	SER140
F	TYR152
F	LYS156
F	PRO182
F	GLY183
F	ILE185
F	THR187
F	THR190
F	HOH406

site_id	AE2
Number of Residues	7
Details	binding site for residue GOL G 301

Chain	Residue
G	ALA141
G	TRP143
G	ASN237
G	MET242
G	VAL243
G	LEU244
G	HOH406

site_id	AE3
Number of Residues	4
Details	binding site for residue GOL G 302

Chain	Residue
G	ALA14
G	ARG15
G	PHE19
G	HIS40

site_id	AE4
Number of Residues	1
Details	binding site for residue GOL G 303

Chain	Residue
H	ARG229

site_id	AE5
Number of Residues	5
Details	binding site for residue GOL G 304

Chain	Residue
G	ARG37
G	ASN61
G	ALA63
G	THR107
G	ASP110

site_id	AE6
Number of Residues	27
Details	binding site for residue NAI G 305

Chain	Residue
G	GLY12
G	ALA14
G	ARG15
G	GLY16
G	ILE17
G	ASP36
G	ARG37
G	CYS60
G	ASN61
G	ILE62
G	ASN88
G	ALA89
G	GLY90
G	ILE91
G	VAL111
G	ILE138
G	ALA139
G	SER140
G	TYR152
G	LYS156
G	PRO182
G	GLY183
G	ILE185
G	THR187
G	HOH404
G	HOH410
G	HOH418

site_id	AE7
Number of Residues	3
Details	binding site for residue GOL H 301

Chain	Residue
H	ALA14
H	HIS40
H	SER47

site_id	AE8
Number of Residues	6
Details	binding site for residue GOL H 302

Chain	Residue
H	ALA141
H	TRP143
H	ASN237
H	MET242
H	VAL243
H	LEU244

site_id	AE9
Number of Residues	29
Details	binding site for residue NAI H 304

Chain	Residue
H	GLY12
H	ALA14
H	ARG15
H	GLY16
H	ILE17
H	ASP36
H	ARG37
H	CYS60
H	ASN61
H	ILE62
H	ASN88
H	ALA89
H	GLY90
H	VAL111
H	ILE138
H	ALA139
H	SER140
H	TYR152
H	LYS156
H	PRO182
H	GLY183
H	ILE185
H	THR187
H	MET189
H	THR190
H	HOH405
H	HOH408
H	HOH429
H	HOH433

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ALA139-CYS167

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