Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase
Plapp, B.V., Kovaleva, E.G.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Alcohol dehydrogenase E chain | 374 | Equus caballus | Mutation(s): 1  EC: 1.1.1.1 | ||
UniProt | |||||
Find proteins for P00327 (Equus caballus) Explore P00327  Go to UniProtKB:  P00327 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00327 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAJ (Subject of Investigation/LOI) Query on NAJ | E [auth A], J [auth B] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM) C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N | |||
PFB (Subject of Investigation/LOI) Query on PFB | F [auth A], K [auth B] | 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL C7 H3 F5 O PGJYYCIOYBZTPU-UHFFFAOYSA-N | |||
MPD Query on MPD | G [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N | |||
ZN Query on ZN | C [auth A], D [auth A], H [auth B], I [auth B] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 44.17 | α = 92.02 |
b = 51.59 | β = 102.89 |
c = 92.77 | γ = 110.04 |
Software Name | Purpose |
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d*TREK | data scaling |
REFMAC | refinement |
d*TREK | data reduction |
O | model building |
Funding Organization | Location | Grant Number |
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National Institutes of Health/National Institute on Alcohol Abuse and Alcoholism (NIH/NIAAA) | United States | AA00279 |