4I3U

Structure of phosphonoacetaldehyde dehydrogenase in complex with phosphonoacetaldehyde

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	0008911	molecular_function	lactaldehyde dehydrogenase (NAD+) activity
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	10
Details	BINDING SITE FOR RESIDUE POA A 500

Chain	Residue
A	ARG108
A	HOH686
A	ASN158
A	HIS159
A	MET163
A	ARG290
A	CYS291
A	THR292
A	ARG447
A	HOH601

---

site_id	AC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE POA B 500

Chain	Residue
B	ARG108
B	ASN158
B	HIS159
B	MET163
B	ARG290
B	CYS291
B	THR292
B	ARG447
B	HOH636

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE POA C 500

Chain	Residue
C	ARG108
C	ASN158
C	HIS159
C	MET163
C	ARG290
C	CYS291
C	THR292
C	ARG447
C	HOH604
C	HOH619

---

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE POA D 500

Chain	Residue
D	ARG108
D	ASN158
D	HIS159
D	MET163
D	ARG290
D	CYS291
D	THR292
D	ARG447
D	HOH640
D	HOH668
D	HOH761

---

site_id	AC5
Number of Residues	9
Details	BINDING SITE FOR RESIDUE POA E 500

Chain	Residue
E	ARG108
E	ASN158
E	HIS159
E	MET163
E	ARG290
E	CYS291
E	THR292
E	HOH613
E	HOH625

---

site_id	AC6
Number of Residues	10
Details	BINDING SITE FOR RESIDUE POA F 500

Chain	Residue
F	ARG108
F	ASN158
F	HIS159
F	MET163
F	ARG290
F	CYS291
F	THR292
F	ARG447
F	HOH602
F	HOH640

---

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE POA G 500

Chain	Residue
G	ARG108
G	ASN158
G	HIS159
G	MET163
G	ARG290
G	CYS291
G	THR292
G	HOH623
G	HOH659
G	HOH746

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE POA H 500

Chain	Residue
H	ARG108
H	ASN158
H	HIS159
H	MET163
H	ARG290
H	CYS291
H	THR292
H	ARG447
H	HOH612
H	HOH629

---

Functional Information from PROSITE/UniProt

site_id	PS00687
Number of Residues	8
Details	ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. LELGGNDP

Chain	Residue	Details
A	LEU253-PRO260

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Proton donor/acceptor => ECO:0000255|PROSITE-ProRule:PRU10007, ECO:0000269|PubMed:24361046

Chain	Residue	Details
A	GLU254
B	GLU254
C	GLU254
D	GLU254
E	GLU254
F	GLU254
G	GLU254
H	GLU254

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Nucleophile => ECO:0000269|PubMed:24361046

Chain	Residue	Details
A	CYS291
B	CYS291
C	CYS291
D	CYS291
E	CYS291
F	CYS291
G	CYS291
H	CYS291

---

site_id	SWS_FT_FI3
Number of Residues	40
Details	BINDING: BINDING => ECO:0000269|PubMed:24361046, ECO:0007744|PDB:4I3X

Chain	Residue	Details
A	ARG108
B	ARG447
C	ARG108
C	HIS159
C	ARG290
C	GLU385
C	ARG447
D	ARG108
D	HIS159
D	ARG290
D	GLU385
A	HIS159
D	ARG447
E	ARG108
E	HIS159
E	ARG290
E	GLU385
E	ARG447
F	ARG108
F	HIS159
F	ARG290
F	GLU385
A	ARG290
F	ARG447
G	ARG108
G	HIS159
G	ARG290
G	GLU385
G	ARG447
H	ARG108
H	HIS159
H	ARG290
H	GLU385
A	GLU385
H	ARG447
A	ARG447
B	ARG108
B	HIS159
B	ARG290
B	GLU385

---

site_id	SWS_FT_FI4
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269|PubMed:24361046, ECO:0007744|PDB:4I3V, ECO:0007744|PDB:4I3W, ECO:0007744|PDB:4I3X

Chain	Residue	Details
A	THR155
D	THR155
D	LYS181
D	SER235
E	THR155
E	LYS181
E	SER235
F	THR155
F	LYS181
F	SER235
G	THR155
A	LYS181
G	LYS181
G	SER235
H	THR155
H	LYS181
H	SER235
A	SER235
B	THR155
B	LYS181
B	SER235
C	THR155
C	LYS181
C	SER235

---