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Alcohol dehydrogenase 3D structures

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Revision as of 10:31, 17 September 2024 by Michal Harel (Talk | contribs)

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3D Structures of Alcohol dehydrogenase

Updated on 17-September-2024 {{#tree:id=OrganizedByTopic|openlevels=0|

ADH I

- 2vna - hADH I catalytic domain - human
- 3jv7 – RrADH I – Rhodococcus rubber
- 4w6z – yADH I – yeast
- 7kcq – yADH I – Cryo EM
- 4eex – LlADH I – Lactococcus lactis
- 4eez – LlADH I (mutant)

ADH I binary complex

- 1u3t – hADH I α chain + inhibitor
- 1hsz, 1hdz, 3hud - hADH I β chain + NAD
- 1u3w - hADH I γ chain + inhibitor
- 1ht0 - hADH I γ chain (mutant) + NAD
- 7kc2, 7kjy – yADH I + NAD – Cryo EM
- 6c49 – ADH I + Zn – Acinetobacter baumannii
- 6qhe – ADH + NAD – Arthrobacter

ADH I ternary complex

- 2w98, 2w4q – hADH I catalytic domain + NADP + inhibitor
- 1hso - hADH I α chain + NAD + pyrazole derivative
- 1hdx - hADH I β chain + NAD + alcohol
- 1u3u, 1u3v - hADH I β chain + inhibitor
- 1deh, 1hdy - hADH I β chain + NAD + pyrazole derivative
- 1htb - hADH I β3 chain + NAD + pyrazole derivative
- 3fx4 – pADH I + NADP + inhibitor – pig
- 4w6z – yADH I + Zn + NAD derivative
- 5env – yADH I + Zn + NAD + alcohol
- 6ffx – RrADH I + Zn + NAD
- 6ffz, 5o8h, 5o8q, 5o9d, 5o9f, 6fg0, 5od3 – RrADH I (mutant) + Zn + NAD

ADH II

- 3owo – ZmADH II iron-dependent – Zymomonas mobilis

ADH II complex

- 3cos - hADH II + NAD + Zn
- 1e3e – mADH II + NADH – mouse
- 1e3l - mADH II (mutant) + NADH
- 1e3i - mADH II + NADH + inhibitor
- 5yln – ADH II + Zn – Streptococcus pneumoniae
- 3ox4 - ZmADH II iron-dependent + NAD

ADH III

- 1m6h, 1m6w, 1teh - hADH III χ chain
- 2fze - hADH III χ chain + ADP-ribose
- 2fzw, 1mp0 - hADH III χ chain + NAD
- 1mc5 – hADH III χ chain + glutathione + NADH
- 1ma0 - hADH III χ chain + dodecanoic acid + NAD
- 3qj5 - hADH III χ chain + inhibitor + NAD
- 8gv3 - hADH III + inhibitor + NAD – Cryo EM
- 4dl9, 4dlb – tADH III + NAD – tomato
- 4dla – tADH III
- 5mln – ADH III + NADPH – Candida magnoliae
- 5yat – ADH III + Zn – Komagsaataella phaffii

ADH IV

- 1ye3, 8adh, 5adh, 4xd2 - hoADH IV e chain – horse
- 1qlj - hoADH IV e chain (mutant)
- 3iv7 – ADH IV – Corynebacterium glutamicum

ADH IV binary complex

- 1d1s, 1agn – hADH IV σ chain + NAD
- 1d1t - hADH IV σ chain (mutant) + NAD
- 2jhf, 2jhg, 1het, 1heu, 1hf3, 1ee2, 2oxi, 2ohx, 6adh, 7udd, 8g41 - hoADH IV e chain + NAD
- 6nbb - hoADH IV e chain + NAD – Cryo EM
- 1adb, 1adc, 1adf, 1adg, 7adh, 5vn1 - hoADH IV e chain + NAD derivative
- 1mgo, 1ju9, 1qlh, 1a72 - hoADH IV e chain (mutant) + NAD

ADH IV ternary complex

- 1hld, 1mg0, 4dwv, 4dxh, 5kjf, 6xt2, 7jqa, 7k35, 7ua6, 7uc9, 7uca, 7ucu, 7ude, 7udr, 7uec, 7uee, 7uef, 7uei, 7uej, 7uhv, 7uhw]], 7uhx - hoADH IV e chain + NAD + alcohol
- 3oq6, 1qv6, 1qv7, 1a71, 1axe, 1axg, 4nfh, 4nfs, 4ng5, 5kje, 5kjc, 5kj6, 5kj1, 5kcz, 5kcp, 5cdt, 5cds, 5cdg, 6o91, 6oa7, 6owm, 6owp, 7u9n, 7uhw, 8e39, 8e7u, 8g2l, [[8g4v] – hoADH IV e chain (mutant) + NAD + alcohol
- 1p1r, 1ldy, 1lde, 7rm6, 8ecs, 8ect, 8ecu, 8ee3 - hoADH IV e chain + NADH + formamide derivative
- 1n92 - hoADH IV e chain + NAD + pyrazole derivative
- 1bto, 3bto - hoADH IV e chain + NADH + butylthiolane derivative
- [[1n8k], 5cdu, 8g2x] - hoADH IV e chain (mutant) +Zn + NAD + pyrazole
- 8g2s - hoADH IV e chain (mutant) + NAD + capric acid
- 1mg0, 1hld - hoADH IV e chain + NAD + alcohol
- 5vj5 - hoADH IV e chain + Zn + phenanthroline
- 5vjg - hoADH IV e chain + Zn + bipyridine
- 5vkr - hoADH IV e chain + Zn + ADPR
- 5vl0 - hoADH IV e chain + Zn + formamide derivative
- 6cy3, 6cxx - hoADH IV e chain (mutant) + Zn + dephosphoCoA
- 8eix, 8eiy - hoADH IV e chain (mutant) + Zn + Co + NAD + formamide derivative
- 8eiw - hoADH IV e chain + Zn + Co + NAD + formamide derivative
- 7utw - hoADH IV e chain + Zn + Cd + NAD + formamide derivative

- 1a4u – SlADH – Scaptodrosophila lebanonensis
- 3my7 – ADH ACDH domain – Vibrio parahaemolyticus
- 3meq – ADH – Brucella suis
- 3l4p – ADH – Desulfovibrio gigas
- 1jvb - SsADH – Sulfolobus solfataricus
- 3i4c, 1nto, 1nvg – SsADH (mutant)
- 3goh – ADH – Shewanella oneidensis
- 3gaz – ADH residues 2-334 – Novosphingobium aromaticivorans
- 2eih – ADH – Thermus thermophilus
- 1rjw, 6iqd – GsADH – Geobacillus stearothermophilus
- 1vj0, 1vhd – TmADH -Thermotoga maritima
- 2eer – ADH – Sulfolobus tokodaii
- 3uog – ADH – Sinorhizobium meliloti
- 4bmn – ReADH - Ralstonia eutropha
- 4z6k – ADH - Moraxella
- 7cyi – ADH – Artemisia annua
- 8ij7 – BgADH – Burkholderia gladioli
- 8ij8 – BgADH (mutant)

ADH binary complex

- 1agn – hADH (sigma) +NAD
- 1cdo – ADH + NAD - cod
- 3l77, 3tn7 – ADH short-chain + NADP – Thermococcus sibiricus
- 1h2b – ADH + NAD – Aeropyrum pernix
- 1f8f – Benzyl-ADH + NAD – Acinetobacter calcoaceticus
- 1o2d - TmADH + NADP
- 3ip1 – TmADH + Cd
- 1b16, 1b14, 1b15 - SlADH + NAD derivative
- 3pii – GsADH + butyramide
- 3rj5, 3rj9 – SlADH (mutant) + NAD
- 3s1l – ReADH + Zn
- 3jzd – ReADH + NAD
- 4rqt - AtADH P + Zn – Arabidopsis thaliana
- 7bu2 – EcADH + Zn – Escherichia coli
- 6qhe – ADH + NAD – Arthrobacter
- 6z42 – ADH + Zn – Halomonas elongata
- 8ij6, 8ijg – BgADH + NADP
- 8h2a – ADH + NAD – Formosa agariphila
- 8h2b – ADH + NAD – Zobellia galactanivorans
- 8uar – RrADH + Zn – Rhodococcus ruber

ADH ternary complex

- 3cv7 – pADH + NAD + NAP
- 1mg5 – ADH + NADH + acetate – Drosophila melanogaster
- 1r37 – SsADH + NAD + alcohol
- 1sby – SlADH + NAD + alcohol
- 1b2l - SlADH + NAD + cyclohexanone
- 1llu - ADH + NAD + alcohol – Pseudomonas aeruginosa
- 3rf7 – SoADH + NAD + Fe + Ni
- 3s2e – ReADH + NAD + Zn
- 3s2f, 3s2g – ReADH + NAD + Zn + furfural
- 4gkv – EcADH + NAD + Zn + peptide
- 7bu3 – EcADH + NADP + Zn + Asp
- 5vm2 – EcADH + Mg + Zn
- 4jji, 4gl4, 3uko, 4rqu - AtADH III + NAD + Zn
- 4l0q - AtADH III (mutant) + NAD + Zn
- 4cpd – TtADH + NAD + Zn
- 6n7l – ADH + NAD + Zn – Elizabethkingia anophelis
- 6c76 – TthADH + NADP + Fe – Thermococcus thioreducens
- 6c7l – TthADH + monophosphoadenosine diphosphate
- 6c75 – TthADH + NADP + Fe + monophosphoadenosine diphosphate
- 8uas – RrADH + NAD + Zn

NADP-dependent ADH

- 4gac - mADH
- 4hfj – toADH – tobacco
- 2nvb, 7xl5 - TbADH (mutant) – Thermoanaerobacter brockii
- 3ftn, 3fpc, 3fpl, 3fsr – ADH chimera
- 1y9a - EhADH – Entamoeba histolytica
- 2oui – EhADH (mutant)
- 1p0c – RpADH8 – Rana perezi

NADP-dependent ADH complex

- 1ykf – TbADH + NADP
- 3h4g – pADH + NADP
- 1p0f – RpADH + NADP
- 4hfm - toADH + NADP
- 4hfn - toADH + NADP + coniferaldehyde
- 4jbg - PaADH + Zn – Pyrobaculum aerophilum
- 4jbh - PaADH + Zn + Co
- 4jbi - PaADH + NADP + Zn
- 4bms – ReADH + NADPH
- 4bmv – ADH + NADPH – Sphingobium yanoikuyae
- 5o98 – ADH + NADPH – Catharanthus roseus
- 5yvm – bspADH + Mn + NADP derivative – brine sea pool
- 5yvr, 5yvs – bspADH (mutant) + Mn + NADP
- 5z2x, 7c3v – ADH + NADP – Kluyveromyces polyspora
- 7ymu – CgADH – Candida glabrata
- 7ymb – CgADH + NADP

R-specific ADH

- 1nxq, 6h07, 6h1m - LbRADH – Lactobacillus brevis
- 1zk2, 1zk3, 6hlf, 6y0z, 6y10, 6y15, 6y1b, 6y1c - LbRADH (mutant)
- 1zjy, 1zjz, 1zk0, 1zk1 – LbRADH (mutant) + NADH + alcohol
- 1zk4 - LbRADH (mutant) + NADH + acetophenone
- 4rf4, 7p36 – LkADH + Mg - Lactobacillus kefiri
- 4rf5, 4rf3, 7p7y – LkADH (mutant) + Mg
- 4rf2 – LkADH + Mg + NADP

Specific alcohol ADH

- 2cf5, 2cf6 – Cinnamyl-AtADH
- 1piw, 1q1n, 1ps0 – Cinnamyl-yADH
- 3two - Cinnamyl-ADH + NADP – Helicobacter pylori
- 1m2w – Mannitol-ADH – Pseudomonas fluorescens
- 1w6s – Methanol-ADH – Methylobacterium extorquens
- 1yqx – Sinapyl-aADH II – aspen
- 1yqd – Sinapyl-aADH II + NADP
- 1bdb – Biphenyl dihydrodiol-ADH + NAD - Pseudomonas

Quinohemoprotein ADH

- 1kv9, 1yiq – PpQADH II + PQQ + heme – Pseudomonas putida
- 6zcw - PpQADH II + PQQ + Pr
- 1kb0 - QADH I + PQQ + heme – Comamonas testosteroni

PQQ-dependent ADH

- 7wmd - DaADH – Devosia albogilva
- 7wmk - DaADH + PQQ

Quinone-dependent ADH

- 4cvc, 4cvb – ADH + Zn + PQQ + propanoate – Pseudogluconobacter saccharoketogenes
- 8gy2 – ADH + PQQ + heme + ubiquinone + coenzyme Q10 – Gluconobactert oxydans - Cryo EM

Secondary ADH

- 7uut, 7ux4 – TpSADH (mutant) + NADP + alcohol
- 6kq9, 6kqb - SADH – Micrococcus luteus
- 1rhc – SADH +F420-acetone – Methanoculleus thermophilus
- 7utc – TeSADH + DMSO + NADP + Zn – Thermoanaerobacter ethanolicus
- 7uut – TeSADH (mutant) + NADP + Zn
- 1ped - CbSADH – Clostridium beijerinckii
- 2b83, 1jqb – CbSADH (mutant)
- 1kev – CbSADH + NADPH
- 1bxz – CbSADH catalytic domain + alcohol
- 2xaa – RrSADH I + NAD + alcohol

Hydroxyacyl-CoA dehydrogenase (HADH)

- Short chain HADH (SCHAD)

- - 1so8 – hSCHAD II
  - 3rqs - hSCHAD
  - 1f14 - hSCHAD (mutant)
  - 7yic - SCHAD - Leifsonia

- Short chain HADH binary complex

- - 1f12 - hSCHAD (mutant) + hydroxybutyryl-CoA
  - 1f17, 1lsj, 1lso - hSCHAD (mutant) + NAD
  - 1zbq - hSCHAD IV + NAD
  - 1e3s - rSCHAD + NAD – rat

- Short chain HADH ternary complex

- - 1u7t - hSCHAD II + inhibitor + NAD
  - 1f0y - hSCHAD + acetoacetyl-CoA + NAD
  - 1il0, 1m75, 1m76 - hSCHAD (mutant) + acetoacetyl-CoA + NAD
  - 1e3w - rSCHAD + 3-keto-butyrate + NAD
  - 1e6w - rSCHAD + estradiol + NAD

Unspecified HADH

- 1uay - HADH II – Thermus thermophilus
- 1zej, 3ctv - HADH – Archaeoglobus fulgidus
- 1zcj - rHADH
- 2x58 - rHADH + CoA
- 2et6 – HADH (mutant) – Candida tropicalis

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Alcohol dehydrogenase 3D structures

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3D Structures of Alcohol dehydrogenase

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