4DWV: Horse alcohol dehydrogenase

Horse alcohol dehydrogenase complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol. Determined by X-ray diffraction at 1.14 Å resolution. Released 11 Apr 2012.

Method
X-ray diffraction
Resolution
1.14 Å
Organism
Equus caballus
Chains
2
Atoms
6,996
Mol. weight
82.16 kDa
Ligands
MRD, PFB, NAJ, ZN
Released
11 Apr 2012

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

Secondary structure: helices and β-sheets

4DWV contains 47 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: 23 helices, 24 β-strands

ElementResiduesLengthSheet
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: 24 helices, 24 β-strands
ElementResiduesLengthSheet
α-helix61
β-strand7-1377
β-strand1418
β-strand22-2877
α-helix29-313
β-strand35-44109
α-helix47-548
β-strand6318
β-strand68-7699
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
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-strand262110
β-strand264-26744
α-helix272-28110
β-strand282110
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-strand346-35169
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
>4DWV_1 Alcohol dehydrogenase E chain (chains A, B)
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTP
LPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGY
GSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
VNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQN
LSMNPMLLLSGRTWKGAIFGGFKSKDSVPKLVADFMAKKFALDPLITHVLPFEKINEGFD
LLRSGESIRTILTF

Ligands and cofactors

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

Primary citation

Atomic-Resolution Structures of Horse Liver Alcohol Dehydrogenase with NAD(+) and Fluoroalcohols Define Strained Michaelis Complexes. Plapp, B.V., Ramaswamy, S. Biochemistry (2012) 51:4035-4048. DOI 10.1021/bi300378n · 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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