Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3BFJ

Crystal structure analysis of 1,3-propanediol oxidoreductase

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
A	0016491	molecular_function	oxidoreductase activity
A	0046872	molecular_function	metal ion binding
A	0047516	molecular_function	1,3-propanediol dehydrogenase activity
B	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
B	0016491	molecular_function	oxidoreductase activity
B	0046872	molecular_function	metal ion binding
B	0047516	molecular_function	1,3-propanediol dehydrogenase activity
C	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
C	0016491	molecular_function	oxidoreductase activity
C	0046872	molecular_function	metal ion binding
C	0047516	molecular_function	1,3-propanediol dehydrogenase activity
D	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
D	0016491	molecular_function	oxidoreductase activity
D	0046872	molecular_function	metal ion binding
D	0047516	molecular_function	1,3-propanediol dehydrogenase activity
E	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
E	0016491	molecular_function	oxidoreductase activity
E	0046872	molecular_function	metal ion binding
E	0047516	molecular_function	1,3-propanediol dehydrogenase activity
F	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
F	0016491	molecular_function	oxidoreductase activity
F	0046872	molecular_function	metal ion binding
F	0047516	molecular_function	1,3-propanediol dehydrogenase activity
G	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
G	0016491	molecular_function	oxidoreductase activity
G	0046872	molecular_function	metal ion binding
G	0047516	molecular_function	1,3-propanediol dehydrogenase activity
H	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
H	0016491	molecular_function	oxidoreductase activity
H	0046872	molecular_function	metal ion binding
H	0047516	molecular_function	1,3-propanediol dehydrogenase activity
I	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
I	0016491	molecular_function	oxidoreductase activity
I	0046872	molecular_function	metal ion binding
I	0047516	molecular_function	1,3-propanediol dehydrogenase activity
J	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
J	0016491	molecular_function	oxidoreductase activity
J	0046872	molecular_function	metal ion binding
J	0047516	molecular_function	1,3-propanediol dehydrogenase activity
K	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
K	0016491	molecular_function	oxidoreductase activity
K	0046872	molecular_function	metal ion binding
K	0047516	molecular_function	1,3-propanediol dehydrogenase activity
L	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
L	0016491	molecular_function	oxidoreductase activity
L	0046872	molecular_function	metal ion binding
L	0047516	molecular_function	1,3-propanediol dehydrogenase activity
M	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
M	0016491	molecular_function	oxidoreductase activity
M	0046872	molecular_function	metal ion binding
M	0047516	molecular_function	1,3-propanediol dehydrogenase activity
N	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
N	0016491	molecular_function	oxidoreductase activity
N	0046872	molecular_function	metal ion binding
N	0047516	molecular_function	1,3-propanediol dehydrogenase activity
O	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
O	0016491	molecular_function	oxidoreductase activity
O	0046872	molecular_function	metal ion binding
O	0047516	molecular_function	1,3-propanediol dehydrogenase activity
P	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
P	0016491	molecular_function	oxidoreductase activity
P	0046872	molecular_function	metal ion binding
P	0047516	molecular_function	1,3-propanediol dehydrogenase activity
Q	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
Q	0016491	molecular_function	oxidoreductase activity
Q	0046872	molecular_function	metal ion binding
Q	0047516	molecular_function	1,3-propanediol dehydrogenase activity
R	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
R	0016491	molecular_function	oxidoreductase activity
R	0046872	molecular_function	metal ion binding
R	0047516	molecular_function	1,3-propanediol dehydrogenase activity
S	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
S	0016491	molecular_function	oxidoreductase activity
S	0046872	molecular_function	metal ion binding
S	0047516	molecular_function	1,3-propanediol dehydrogenase activity
T	0004022	molecular_function	alcohol dehydrogenase (NAD+) activity
T	0016491	molecular_function	oxidoreductase activity
T	0046872	molecular_function	metal ion binding
T	0047516	molecular_function	1,3-propanediol dehydrogenase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 A1388

Chain	Residue
A	ASP198
A	HIS202
A	HIS267
A	HIS281
A	ASN285
A	HOH1418
A	HOH1424

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 B1388

Chain	Residue
B	HIS267
B	HIS281
B	HOH1433
B	ASP198
B	HIS202

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 C1388

Chain	Residue
C	ASP198
C	HIS202
C	HIS267
C	HIS281
C	HOH1415

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 D1388

Chain	Residue
D	ASP198
D	HIS202
D	HIS267
D	HIS281
D	ASN285
D	HOH1436
D	HOH1437

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 E1388

Chain	Residue
E	ASP198
E	HIS202
E	HIS267
E	HIS281
E	HOH1407
E	HOH1464

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 F1388

Chain	Residue
F	ASP198
F	HIS202
F	HIS267
F	HIS281
F	HOH1407

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 G1388

Chain	Residue
G	ASP198
G	HIS202
G	HIS267
G	HIS281
G	HOH1429

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 H1388

Chain	Residue
H	ASP198
H	HIS202
H	HIS267
H	HIS281
H	HOH1451

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 I1388

Chain	Residue
I	ASP198
I	HIS202
I	HIS267
I	HIS281
I	HOH1394
I	HOH1439

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FE2 J1388

Chain	Residue
J	ASP198
J	HIS202
J	HIS267
J	HIS281
J	HOH1419

site_id	BC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 K1388

Chain	Residue
K	ASP198
K	HIS202
K	HIS267
K	HIS281
K	HOH1476
K	HOH1480

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 L1388

Chain	Residue
L	ASP198
L	HIS202
L	HIS267
L	HIS281
L	HOH1429
L	HOH1430

site_id	BC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 M1388

Chain	Residue
M	ASP198
M	HIS202
M	HIS267
M	HIS281
M	HOH1445
M	HOH1446

site_id	BC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 N1388

Chain	Residue
N	ASP198
N	HIS202
N	HIS267
N	HIS281
N	HOH1420
N	HOH1421

site_id	BC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 O1388

Chain	Residue
O	ASP198
O	HIS202
O	HIS267
O	HIS281
O	ASN285
O	HOH1399
O	HOH1438

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 P1388

Chain	Residue
P	ASP198
P	HIS202
P	HIS267
P	HIS281
P	HOH1451
P	HOH1452

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE FE2 Q1388

Chain	Residue
Q	HOH1431
Q	ASP198
Q	HIS202
Q	HIS267
Q	HIS281
Q	ASN285
Q	HOH1408

site_id	BC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE FE2 R1388

Chain	Residue
R	ASP198
R	HIS202
R	HIS267
R	HIS281
R	HOH1395
R	HOH1427

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 S1388

Chain	Residue
S	ASP198
S	HIS202
S	HIS267
S	HIS281

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE FE2 T1388

Chain	Residue
T	ASP198
T	HIS202
T	HIS267
T	HIS281

Functional Information from PROSITE/UniProt

site_id	PS00060
Number of Residues	21
Details	ADH_IRON_2 Iron-containing alcohol dehydrogenases signature 2. GyVHamAHqLGGlydMpHGvA

Chain	Residue	Details
A	GLY264-ALA284

site_id	PS00913
Number of Residues	29
Details	ADH_IRON_1 Iron-containing alcohol dehydrogenases signature 1. SInDpllmigkPaaltAaTgmDALthavE

Chain	Residue	Details
A	SER177-GLU205

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