4NG5: V203A horse liver alcohol dehydrogenase E

V203A horse liver alcohol dehydrogenase E complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol. 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
7,058
Mol. weight
82.11 kDa
Ligands
ZN, NAJ, MRD, PFB
Released
13 Nov 2013

Explore 4NG5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NG5 contains 46 α-helices and 48 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: 24 helices, 24 β-strands

ElementResiduesLengthSheet
α-helix61
β-strand7-1371
β-strand1412
β-strand22-2871
α-helix29-313
β-strand35-44103
α-helix47-548
β-strand6312
β-strand69-7683
β-strand88-9143
α-helix101-1044
β-strand130-13231
β-strand135-13731
β-strand13812
β-strand14711
β-strand149-15353
α-helix154-1563
β-strand157-15933
α-helix166-1694
α-helix170-1734
α-helix175-1817
α-helix182-1876
α-helix189-1902
β-strand194-19854
α-helix202-21312
β-strand218-22254
α-helix226-2283
α-helix229-2357
β-strand239-24134
α-helix243-2453
α-helix250-2578
β-strand26215
β-strand264-26744
α-helix272-28110
β-strand28215
β-strand288-29144
α-helix294-2963
α-helix299-3002
β-strand301-30336
α-helix306-3094
β-strand313-31644
α-helix319-3213
α-helix324-33613
α-helix343-3453
β-strand346-35163
α-helix352-3543
α-helix355-3639
β-strand369-37353
Chain B: 22 helices, 24 β-strands
ElementResiduesLengthSheet
β-strand7-1377
β-strand1418
α-helix20-212
β-strand22-2877
α-helix29-313
β-strand35-44109
α-helix47-548
β-strand6318
β-strand69-7689
β-strand88-9149
α-helix101-1044
β-strand130-13237
β-strand135-13737
β-strand13818
β-strand14717
β-strand149-15359
α-helix154-1563
β-strand157-15939
α-helix166-1694
α-helix170-1734
α-helix175-1817
α-helix182-1876
β-strand194-19854
α-helix202-21312
β-strand218-22254
α-helix226-2283
α-helix229-2357
β-strand239-24134
α-helix243-2453
α-helix250-2578
β-strand262110
β-strand264-26744
α-helix272-28110
β-strand282110
β-strand288-29144
α-helix294-2963
β-strand301-30336
α-helix306-3094
β-strand313-31644
α-helix319-3213
α-helix324-33613
α-helix343-3453
β-strand346-35169
α-helix352-3543
α-helix355-3639
β-strand369-37359

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Alcohol dehydrogenase E chainA, Bprotein374Equus caballusP00327 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>4NG5_1 Alcohol dehydrogenase E chain (chains A, B)
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTP
LPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGY
GSAVKVAKVTQGSTCAVFGLGGAGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
VNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFD
LLRSGESIRTILTF

Ligands and cofactors

IDNameFormulaCopies
ZNZinc ionZn4
NAJNicotinamide-adenine-dinucleotide (acidic form)C21 H27 N7 O14 P22
MRD(4R)-2-methylpentane-2,4-diolC6 H14 O24
PFB2,3,4,5,6-pentafluorobenzyl alcoholC7 H3 F5 O2

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:

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