1het
From Proteopedia
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|PDB= 1het |SIZE=350|CAPTION= <scene name='initialview01'>1het</scene>, resolution 1.15Å | |PDB= 1het |SIZE=350|CAPTION= <scene name='initialview01'>1het</scene>, resolution 1.15Å | ||
|SITE= <scene name='pdbsite=AC3:Zn+Binding+Site+For+Chain+A'>AC3</scene>, <scene name='pdbsite=AC4:Zn+Binding+Site+For+Chain+B'>AC4</scene>, <scene name='pdbsite=NAA:Chain+A+Nucleotide+Binding+Site'>NAA</scene>, <scene name='pdbsite=NAB:Chain+B+Nucleotide+Binding+Site'>NAB</scene>, <scene name='pdbsite=OHA:Active+Site+w.+Zn+Bound+Hydroxide+For+Chain+A'>OHA</scene> and <scene name='pdbsite=OHB:Active+Site+w.+Zn+Bound+Hydroxide+For+Chain+B'>OHB</scene> | |SITE= <scene name='pdbsite=AC3:Zn+Binding+Site+For+Chain+A'>AC3</scene>, <scene name='pdbsite=AC4:Zn+Binding+Site+For+Chain+B'>AC4</scene>, <scene name='pdbsite=NAA:Chain+A+Nucleotide+Binding+Site'>NAA</scene>, <scene name='pdbsite=NAB:Chain+B+Nucleotide+Binding+Site'>NAB</scene>, <scene name='pdbsite=OHA:Active+Site+w.+Zn+Bound+Hydroxide+For+Chain+A'>OHA</scene> and <scene name='pdbsite=OHB:Active+Site+w.+Zn+Bound+Hydroxide+For+Chain+B'>OHB</scene> | ||
| - | |LIGAND= <scene name='pdbligand= | + | |LIGAND= <scene name='pdbligand=MRD:(4R)-2-METHYLPENTANE-2,4-DIOL'>MRD</scene>, <scene name='pdbligand=NAD:NICOTINAMIDE-ADENINE-DINUCLEOTIDE'>NAD</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Alcohol_dehydrogenase Alcohol dehydrogenase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.1 1.1.1.1] </span> |
|GENE= | |GENE= | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1het FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1het OCA], [http://www.ebi.ac.uk/pdbsum/1het PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1het RCSB]</span> | ||
}} | }} | ||
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[[Category: Merli, A.]] | [[Category: Merli, A.]] | ||
[[Category: Morris, R J.]] | [[Category: Morris, R J.]] | ||
| - | [[Category: MRD]] | ||
| - | [[Category: NAD]] | ||
| - | [[Category: ZN]] | ||
[[Category: oxidoreductase(nad(a)-choh(d))]] | [[Category: oxidoreductase(nad(a)-choh(d))]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:03:43 2008'' |
Revision as of 18:03, 30 March 2008
| |||||||
| , resolution 1.15Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | , , , , and | ||||||
| Ligands: | , , | ||||||
| Activity: | Alcohol dehydrogenase, with EC number 1.1.1.1 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
ATOMIC X-RAY STRUCTURE OF LIVER ALCOHOL DEHYDROGENASE CONTAINING A HYDROXIDE ADDUCT TO NADH
Overview
Atomic (1 A) resolution x-ray structures of horse liver alcohol dehydrogenase in complex with NADH revealed the formation of an adduct in the active site between a metal-bound water and NADH. Furthermore, a pronounced distortion of the pyridine ring of NADH was observed. A series of quantum chemical calculations on the water-nicotinamide adduct showed that the puckering of the pyridine ring in the crystal structures can only be reproduced when the water is considered a hydroxide ion. These observations provide fundamental insight into the enzymatic activation of NADH for hydride transfer.
About this Structure
1HET is a Single protein structure of sequence from Equus caballus. Full crystallographic information is available from OCA.
Reference
On the enzymatic activation of NADH., Meijers R, Morris RJ, Adolph HW, Merli A, Lamzin VS, Cedergren-Zeppezauer ES, J Biol Chem. 2001 Mar 23;276(12):9316-21. Epub 2000 Dec 28. PMID:11134046
Page seeded by OCA on Sun Mar 30 21:03:43 2008
