4NFS: V203A horse liver alcohol dehydrogenase E

V203A horse liver alcohol dehydrogenase E complexed with NAD and 2,2,2-trifluoroethanol. Determined by X-ray diffraction at 1.1 Å resolution. Released 13 Nov 2013.

Method: X-ray diffraction
Resolution: 1.1 Å
Organism: Equus caballus
Chains: 2
Atoms: 7,024
Mol. weight: 81.91 kDa
Ligands: MRD, ETF, NAJ, ZN
Released: 13 Nov 2013

Explore 4NFS in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NFS contains 45 α-helices and 46 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 23 helices, 24 β-strands

Element	Residues	Length	Sheet
α-helix	6	1
β-strand	7-13	7	1
β-strand	14	1	2
β-strand	22-28	7	1
α-helix	29-31	3
β-strand	35-44	10	3
α-helix	47-54	8
β-strand	63	1	2
β-strand	69-76	8	3
β-strand	88-91	4	3
α-helix	101-104	4
β-strand	130-132	3	1
β-strand	135-137	3	1
β-strand	138	1	2
β-strand	147	1	1
β-strand	149-153	5	3
α-helix	154-156	3
β-strand	157-159	3	3
α-helix	166-169	4
α-helix	170-173	4
α-helix	175-181	7
α-helix	182-187	6
α-helix	189-190	2
β-strand	194-198	5	4
α-helix	202-213	12
β-strand	218-222	5	4
α-helix	226-228	3
α-helix	229-235	7
β-strand	239-241	3	4
α-helix	243-245	3
α-helix	250-257	8
β-strand	262	1	5
β-strand	264-267	4	4
α-helix	272-281	10
β-strand	282	1	5
β-strand	288-291	4	4
α-helix	294-296	3
β-strand	301-303	3	6
α-helix	306-309	4
β-strand	313-316	4	4
α-helix	319-321	3
α-helix	324-336	13
α-helix	343-345	3
β-strand	346-351	6	3
α-helix	352-354	3
α-helix	355-363	9
β-strand	369-373	5	3

Chain B: 22 helices, 22 β-strands

Element	Residues	Length	Sheet
α-helix	6	1
β-strand	7-14	8	7
β-strand	22-28	7	7
α-helix	29-31	3
β-strand	35-44	10	8
α-helix	47-54	8
β-strand	63-64	2	7
β-strand	69-76	8	8
β-strand	88-91	4	8
α-helix	101-104	4
β-strand	130-132	3	7
β-strand	135-138	4	7
β-strand	147	1	7
β-strand	149-153	5	8
α-helix	154-156	3
β-strand	157-159	3	8
α-helix	166-169	4
α-helix	170-173	4
α-helix	175-181	7
α-helix	182-187	6
β-strand	194-198	5	4
α-helix	202-213	12
β-strand	218-222	5	4
α-helix	226-228	3
α-helix	229-234	6
β-strand	239-241	3	4
α-helix	243-245	3
α-helix	250-257	8
β-strand	262	1	9
β-strand	264-267	4	4
α-helix	272-281	10
β-strand	282	1	9
β-strand	288-291	4	4
α-helix	294-296	3
β-strand	301-303	3	6
α-helix	306-309	4
β-strand	313-316	4	4
α-helix	319-321	3
α-helix	324-336	13
α-helix	343-345	3
β-strand	346-351	6	8
α-helix	352-354	3
α-helix	355-363	9
β-strand	369-373	5	8

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Alcohol dehydrogenase E chain	A, B	protein	374	Equus caballus	P00327 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>4NFS_1 Alcohol dehydrogenase E chain (chains A, B)
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTP
LPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGY
GSAVKVAKVTQGSTCAVFGLGGAGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
VNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFD
LLRSGESIRTILTF

Ligands and cofactors

ID	Name	Formula	Copies
MRD	(4R)-2-methylpentane-2,4-diol	C6 H14 O2	4
ETF	Trifluoroethanol	C2 H3 F3 O	2
NAJ	Nicotinamide-adenine-dinucleotide (acidic form)	C21 H27 N7 O14 P2	2
ZN	Zinc ion	Zn	4

Primary citation

Effects of cavities at the nicotinamide binding site of liver alcohol dehydrogenase on structure, dynamics and catalysis. Yahashiri, A., Rubach, J.K., Plapp, B.V. Biochemistry (2014) 53:881-894. DOI 10.1021/bi401583f · PubMed

Other PDB entries of the same protein (UniProt P00327 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2JHF 1.0 Å, Structural evidence for a ligand coordination switch in liver alcohol dehydrogenase
4NG5 1.1 Å, V203A horse liver alcohol dehydrogenase E complexed with NAD+ and…
4XD2 1.1 Å, Horse liver alcohol dehydrogenase-NADH complex
5KCP 1.1 Å, horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol
6O91 1.1 Å, Horse liver L57F alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol
6OA7 1.1 Å, Horse liver L57F alcohol dehydrogenase E complexed with NAD and trifluoroethanol
6OWM 1.1 Å, Horse liver F93W alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol
7UA6 1.1 Å, Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 25K
7UC9 1.1 Å, Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K
7UCA 1.1 Å, Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 65 K
7UCU 1.1 Å, Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K
7UDD 1.1 Å, Horse liver alcohol dehydrogenase complexed with NAD+ and 2,2,2-trifluoroethanol at 150 K

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