Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5EXF

Thermostable aldehyde dehydrogenase from Pyrobaculum sp.1860 complexed with NADP+

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0016491	molecular_function	oxidoreductase activity
A	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
B	0000166	molecular_function	nucleotide binding
B	0016491	molecular_function	oxidoreductase activity
B	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
C	0000166	molecular_function	nucleotide binding
C	0016491	molecular_function	oxidoreductase activity
C	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
D	0000166	molecular_function	nucleotide binding
D	0016491	molecular_function	oxidoreductase activity
D	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
E	0000166	molecular_function	nucleotide binding
E	0016491	molecular_function	oxidoreductase activity
E	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
F	0000166	molecular_function	nucleotide binding
F	0016491	molecular_function	oxidoreductase activity
F	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
G	0000166	molecular_function	nucleotide binding
G	0016491	molecular_function	oxidoreductase activity
G	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor
H	0000166	molecular_function	nucleotide binding
H	0016491	molecular_function	oxidoreductase activity
H	0016620	molecular_function	oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor

Functional Information from PDB Data

site_id	AC1
Number of Residues	35
Details	binding site for residue NAP A 501

Chain	Residue
A	ILE151
A	PRO210
A	GLY211
A	GLY215
A	GLU216
A	PHE229
A	THR230
A	GLY231
A	GLU232
A	THR235
A	GLU253
A	THR152
A	LEU254
A	GLY255
A	CYS287
A	GLU382
A	PHE384
A	PHE449
A	HOH612
A	HOH631
A	HOH650
A	HOH665
A	PRO153
A	HOH692
A	HOH714
A	HOH761
A	HOH776
A	HOH795
A	HOH808
A	TRP154
A	ASN155
A	ILE160
A	LYS178
A	ALA180
A	SER181

site_id	AC2
Number of Residues	4
Details	binding site for residue GOL A 502

Chain	Residue
A	ARG237
A	ASP407
A	TYR408
A	HOH720

site_id	AC3
Number of Residues	34
Details	binding site for residue NAP B 500

Chain	Residue
B	ILE151
B	THR152
B	PRO153
B	TRP154
B	ASN155
B	ILE160
B	LYS178
B	ALA180
B	SER181
B	PRO210
B	GLY211
B	GLY215
B	GLU216
B	PHE229
B	THR230
B	GLY231
B	GLU232
B	THR235
B	GLU253
B	LEU254
B	GLY255
B	CYS287
B	GLU382
B	PHE384
B	LEU410
B	PHE449
B	HOH603
B	HOH683
B	HOH702
B	HOH716
B	HOH736
B	HOH768
B	HOH782
B	HOH840

site_id	AC4
Number of Residues	32
Details	binding site for residue NAP C 500

Chain	Residue
C	HOH771
C	HOH784
C	HOH795
C	HOH796
C	HOH813
C	HOH879
C	ILE151
C	THR152
C	PRO153
C	TRP154
C	ASN155
C	ILE160
C	LYS178
C	ALA180
C	SER181
C	PRO210
C	GLY211
C	GLY215
C	PHE229
C	THR230
C	GLY231
C	GLU232
C	THR235
C	GLU253
C	LEU254
C	GLY255
C	CYS287
C	GLU382
C	PHE384
C	LEU410
C	PHE449
C	HOH610

site_id	AC5
Number of Residues	32
Details	binding site for residue NAP D 500

Chain	Residue
D	ILE151
D	THR152
D	PRO153
D	TRP154
D	ASN155
D	ILE160
D	LYS178
D	ALA180
D	SER181
D	PRO210
D	GLY211
D	GLY215
D	GLU216
D	PHE229
D	THR230
D	GLY231
D	GLU232
D	THR235
D	GLU253
D	LEU254
D	GLY255
D	CYS287
D	GLU382
D	PHE384
D	PHE449
D	HOH617
D	HOH654
D	HOH689
D	HOH691
D	HOH704
D	HOH758
D	HOH800

site_id	AC6
Number of Residues	35
Details	binding site for residue NAP E 500

Chain	Residue
E	ILE151
E	THR152
E	PRO153
E	TRP154
E	ASN155
E	ILE160
E	LYS178
E	PRO179
E	ALA180
E	SER181
E	PRO210
E	GLY211
E	GLY215
E	GLU216
E	PHE229
E	THR230
E	GLY231
E	GLU232
E	THR235
E	ILE239
E	GLU253
E	LEU254
E	GLY255
E	CYS287
E	GLU382
E	PHE384
E	LEU410
E	PHE449
E	HOH605
E	HOH626
E	HOH644
E	HOH675
E	HOH685
E	HOH730
E	HOH819

site_id	AC7
Number of Residues	33
Details	binding site for residue NAP F 500

Chain	Residue
F	ILE151
F	THR152
F	PRO153
F	TRP154
F	ASN155
F	ILE160
F	LYS178
F	PRO179
F	ALA180
F	SER181
F	PRO210
F	GLY211
F	GLY215
F	PHE229
F	THR230
F	GLY231
F	GLU232
F	THR235
F	ILE239
F	GLU253
F	LEU254
F	GLY255
F	CYS287
F	GLU382
F	PHE384
F	PHE449
F	HOH651
F	HOH672
F	HOH787
F	HOH801
F	HOH810
F	HOH821
F	HOH851

site_id	AC8
Number of Residues	37
Details	binding site for residue NAP G 500

Chain	Residue
G	ILE151
G	THR152
G	PRO153
G	TRP154
G	ASN155
G	ILE160
G	LYS178
G	PRO179
G	ALA180
G	SER181
G	PRO210
G	GLY211
G	GLY215
G	GLU216
G	PHE229
G	THR230
G	GLY231
G	GLU232
G	THR235
G	ILE239
G	GLU253
G	LEU254
G	GLY255
G	CYS287
G	GLU382
G	PHE384
G	LEU410
G	PHE449
G	HOH662
G	HOH706
G	HOH719
G	HOH720
G	HOH742
G	HOH755
G	HOH764
G	HOH806
G	HOH853

site_id	AC9
Number of Residues	36
Details	binding site for residue NAP H 500

Chain	Residue
H	ILE151
H	THR152
H	PRO153
H	TRP154
H	ASN155
H	ILE160
H	LYS178
H	PRO179
H	ALA180
H	SER181
H	PRO210
H	GLY211
H	GLY215
H	GLU216
H	PHE229
H	THR230
H	GLY231
H	GLU232
H	THR235
H	GLU253
H	LEU254
H	GLY255
H	CYS287
H	GLU382
H	PHE384
H	LEU410
H	PHE449
H	HOH659
H	HOH699
H	HOH724
H	HOH733
H	HOH756
H	HOH784
H	HOH802
H	HOH805
H	HOH886

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