5KCP: Horse liver S48T alcohol dehydrogenase

horse liver S48T alcohol dehydrogenase complexed with NAD and pentafluorobenzyl alcohol. Determined by X-ray diffraction at 1.1 Å resolution. Released 29 Jun 2016.

Method
X-ray diffraction
Resolution
1.1 Å
Organism
Equus caballus
Chains
2
Atoms
6,979
Mol. weight
82.59 kDa
Ligands
ZN, NAJ, MRD, PFB
Released
29 Jun 2016

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

Secondary structure: helices and β-sheets

5KCP 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: 22 helices, 22 β-strands

ElementResiduesLengthSheet
β-strand7-1481
β-strand22-2871
α-helix29-313
β-strand35-44102
α-helix47-548
β-strand63-6421
β-strand69-7682
β-strand88-9142
α-helix101-1044
β-strand130-13231
β-strand135-13841
β-strand14711
β-strand149-15352
α-helix154-1563
β-strand157-15932
α-helix166-1694
α-helix170-1734
α-helix175-1817
α-helix182-1876
β-strand194-19853
α-helix202-21312
β-strand218-22253
α-helix226-2283
α-helix229-2357
β-strand239-24133
α-helix243-2453
α-helix250-2578
β-strand26214
β-strand264-26743
α-helix272-28110
β-strand28214
β-strand288-29143
α-helix294-2963
α-helix299-3002
β-strand301-30335
α-helix306-3094
β-strand313-31643
α-helix319-3213
α-helix324-33613
α-helix343-3453
β-strand346-35162
α-helix352-3543
α-helix355-3639
β-strand369-37352
Chain B: 23 helices, 24 β-strands
ElementResiduesLengthSheet
α-helix61
β-strand7-1376
β-strand1417
α-helix20-212
β-strand22-2876
α-helix29-313
β-strand35-44108
α-helix47-548
β-strand6317
β-strand69-7688
β-strand88-9148
α-helix101-1044
β-strand130-13236
β-strand135-13736
β-strand13817
β-strand14716
β-strand149-15358
α-helix154-1563
β-strand157-15938
α-helix166-1694
α-helix170-1734
α-helix175-1817
α-helix182-1876
β-strand194-19853
α-helix202-21312
β-strand218-22253
α-helix226-2283
α-helix229-2357
β-strand239-24133
α-helix243-2453
α-helix250-2578
β-strand26219
β-strand264-26743
α-helix272-28110
β-strand28219
β-strand288-29143
α-helix294-2963
β-strand301-30335
α-helix306-3094
β-strand313-31643
α-helix319-3213
α-helix324-33613
α-helix343-3453
β-strand346-35168
α-helix352-3543
α-helix355-3639
β-strand369-37358

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Alcohol dehydrogenase E chainA, Bprotein374Equus caballusP00327 (AlphaFold model)
Sequence of entity 1 (A, B), FASTA
>5KCP_1 Alcohol dehydrogenase E chain (chains A, B)
STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRTDDHVVSGTLVTP
LPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLFTPQCGKCRVCKHPEGNFCLKNDLSMPR
GTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGY
GSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATEC
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 O4

Primary citation

Inversion of substrate stereoselectivity of horse liver alcohol dehydrogenase by substitutions of Ser-48 and Phe-93. Kim, K., Plapp, B.V. Chem Biol Interact (2017) 276:77-87. DOI 10.1016/j.cbi.2016.12.016 · PubMed

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

Browse structure collections

About this viewer

MolViewer shows 5KCP directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.