5KJ6: V197I Horse liver alcohol dehydrogenase

V197I Horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol. Determined by X-ray diffraction at 1.14 Å resolution. Released 6 Jul 2016.

Method
X-ray diffraction
Resolution
1.14 Å
Organism
Equus caballus
Chains
2
Atoms
6,935
Mol. weight
82.19 kDa
Ligands
MRD, PFB, NAJ, ZN
Released
6 Jul 2016

Explore 5KJ6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5KJ6 contains 45 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-strand68-7693
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-helix229-2346
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
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
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
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
>5KJ6_1 Alcohol dehydrogenase E chain (chains A, B)
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTP
LPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGY
GSAVKVAKVTQGSTCAIFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
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

Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Shanmuganatham, K.K., Wallace, R.S., Ting-I Lee, A. et al. Protein Sci (2018) 27:750-768. DOI 10.1002/pro.3370 · 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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