Cytochrome P450 3D structures

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3D Structures of Cytochrome P450

Updated on 15-December-2022 {{#tree:id=OrganizedByTopic|openlevels=0|

  • human P450 1 family
    • 2hi4 – hP4501A2+naphthoflavone - human
    • 4i8v - hP4501A1 +naphthoflavone
    • 6dwn - hP4501A1 + erlotinib
    • 6dwm - hP4501A1 + bergamottin
    • 3pm0, 6oyu - hP4501B1+naphthoflavone
    • 6iq5, 6o5y - hP4501B1 + inhibitor
    • 6oyv - P4501B1 + estradiol - synthetic
  • human P450 2 family
  • human P450 2 family complex
    • 3ebs – hP4502A6 (mutant)+phenacetin
    • 2fdu, 2fdv, 2fdw, 2fdy - hP4502A6+pyridine derivative
    • 1z10 - hP4502A6 catalytic domain+coumarin
    • 4ejj - hP4502A6 + nicotine
    • 3t3q, 3t3r - hP4502A6 (mutant) + pilocarpine
    • 2z10 – hP4502A6+coumarin
    • 1z11 - hP4502A6+methoxalen
    • 4rui – hP450 2A6 + volatile hydrocarbon
    • 3t3s - hP4502A13 + pilocarpine
    • 4ejg - hP4502A13 + nicotine
    • 4ejh, 4eji - hP4502A13 + pyridine derivative
    • 2p85 – hP4502A13 (mutant)+indole
    • 3ibd – hP4502B6 (mutant)+4-(4-chlorophenyl)imidazole
    • 3ua5 – hP4502B6 (mutant) + amlodipine
    • 4i91, 4zv8 - hP4502B6 (mutant) + pinine
    • 5wbg - hP4502B6 (mutant) + HIV drug
    • 3qoa, 2qu8, 3qu8 – hP450 2B6 (mutant) + inhibitor
    • 4rql, 4rrt – hP450 2B6 (mutant) + volatile hydrocarbon
    • 5ufg, 5uec, 5uap – hP450 2B6 (mutant) + Br derivative
    • 5uda – hP450 2B6 (mutant) + monoterpene borane
    • 5e58 – dwP450 2B35 + inhibitor – desert woodrat
    • 5e0e – dwP450 2B37 + inhibitor
    • 2nnh – hP4502C8+retinoic acid
    • 2nni - hP4502C8+montelukast
    • 2nnj - hP4502C8+felodipine
    • 1r9o – hP4502C9 (mutant)+flurbiprofen
    • 5xxi, 5x23, 5x24 - hP4502C9 (mutant) + blood pressure drug
    • 5a5i, 5a5j, 5w0c, 5k7k - hP4502C9 + inhibitor
    • 4nz2 - hP4502C9 (mutant) + inhibitor
    • 3tbg, 4wnw – hP4502D6 + thioridazine
    • 6csb - hP4502D6 (mutant) + thioridazine
    • 3tda – hP4502D6 + prinomastat
    • 6csd - hP4502D6 (mutant) + prinomastat
    • 4wnt - hP4502D6 + ajmalicine
    • 4wnu, 4wnv - hP4502D6 + quinine derivative
    • 5tft, 5tfu, 4xry, 4xrz - hP4502D6 + Bace1 inhibitor
    • 3gph, 3koh, 3lc4 – hP4502E1 fragment +imidazole derivative
    • 3e6i – hP4502E1 fragment+indazole
    • 3e4e – hP4502E1 fragment+methylpyrazole
    • 3t3z - hP4502E1 + pilocarpine
    • 3czh, 3dl9, 3c6g – hP4502R1+vitamin D
  • human P450 3 family
  • human P450 7 family
    • 3dax – hP4507A1
    • 3sn5 - hP4507A1 + cholest-4-en-3-one
  • human P450 11 family
  • human P450 17 A1 family (steroid 17-α-hydroxylase 17,20 lyase)
    • 5uys, 3ruk, 6chi, 6cir, 6ciz, 6wr0, 6ww0 - hP450 C17 + abiraterone derivative
    • 4nkv, 6wr1 - hP450 C17 (mutant) + abiraterone derivative
    • 5irq - hP450 C17 + orteronel
    • 5irv - hP450 C17 + inhibitor
    • 4nkw, 4nkz - hP450 C17 (mutant) + pregnenolone derivative
    • 4nkx, 4nky - hP450 C17 (mutant) + progesterone derivative
    • 3swz - hP450 C17 + drug
  • human P450 19 family (aromatase)
  • human P450 46 family
    • 2q9f – hP45046A1+cholesterol
    • 2q9d, 2q9g - hP45046A1
    • 2vn0 – hP450105A1+troglitazone
    • 2zby - hP450105A1 (mutant)
  • P450 from Mycobacterium tuberculosis or sterol 14-α demethylase; CYP121 is mycocyclosin synthase
  • P450cam or camphor-5 momooxygenase
  • P450nor or NADP nitrous oxide-forming nitric-oxide reductase or nitric oxide reductase
  • P450epoK
    • 1q5e - ScP450epoK - Sorangium cellulosum
    • 1q5d, 1pkf – ScP450epoK+epothilone
  • P450cin
  • rabbit P450
    • 2bdm – rP450 CYP2B4 – rabbit
    • 1po5, 3mvr, 3r1a, 3r1b, 5iut, 5iuz, 5em4, 6bww - rP450 CYP2B4 (mutant)
    • 1suo,3g5n, 3g93, 2q6n, 3tk3 - rP450 CYP2B4 (mutant)+imidazole derivative
    • 4mgj - rP450 CYP2B4 (mutant)+ thiol derivative
    • 3kw4, 3me6, 3tmz, 4h1n - rP450 CYP2B4 (mutant)+anti-platelet drug
    • 4jlt - rP450 CYP CYP2B4 (mutant) + anti-depressant drug
    • 3uas - rP450 CYP CYP2B4 (mutant)+ inactivator
    • 5t6q - rP450 CYP4B1 + octane
    • 6c93 - rP450 CYP4B1 (mutant) + octane
    • 6c94 - rP450 CYP4B1 + inhibitor
    • 1dt6 - rP450 CYP2C5 (mutant)
    • 1nr6 – rP450 CYP2C5+diclofenac
    • 1n6b - rP450 CYP2C5+sulfaphenazole
  • P450 BM3 or bifunctional P450/NADPH-P450 reductase; Domains – heme 1-458; FMN 459-647; FAD 659-1049
  • Eukaryote P450 Cyp51 or lanosterol 14-alpha demethylase
  • Bacterial P450 Cyp51 or lanosterol 14-alpha demethylase
    • 6mi0, 7jj1– McP450 CYP51 – Methylcoccus capsulatus
    • 7tef – MmP450 CYP51B1 – Mycobacterium marinum
    • 3g1q – TbP450 CYP51 – Trypanosoma brucei
    • 5jlc – P450 CYP51 – Candida glabrata
    • 4bmm, 4by0, 4c0c, 4c27, 4c28, 4coh, 4uqh, 4uvr – P450 CYP51 + inhibitor – Trypanosoma cruzi
    • 6fmo – P450 CYP51 (mutant) + obtosifoliol
    • 6mcw – McP450 CYP51 + detergent
    • 7snm – McP450 CYP51 + drug
    • 7rkr – NfP450 CYP51 + inhibitor
    • 2wv2, 2wx2, 2x2n, 3tik – TbP450 CYP51 + drug
    • 3gw9, 4bjk, 4g3j, 4g7g – TbP450 CYP51 + inhibitor
    • 3p99 – TbP450 CYP51 + lanosterol derivative
    • 6ay4, 6ayb, 6ayc – NfP450 CYP51 + drug – Naegleria fowleri
    • 3l4d – P450 CYP51 + drug – Leishmania infantum
  • Other CYPs
    • 1ued – AoP450 oxyC – Amycolatopsis orientalis
    • 1lfk, 1lg9, 1lgf - AoP450 oxyB
    • 5ex6, 5ex9, 5ex8 - P450 – Streptomyces toyocaensis
    • 5vws - P450 – Thermobispora bispora
    • 3p3l, 3p3o, 3p3x, 3p3z – P450 – Streptomyces thioluteus
    • 2rfb – PtP450 – Picrophilus torridus
    • 6gii, 6laa – P450 – Tepidiphilus thermophilus
    • 1wiy – TtP450 – Thermus thermophilus
    • 4e2p, 5xw2 - P450 – Streptococcus himastatinicus
    • 6g5q, 6g5o - P450 – Zobellia galactanivorans
    • 5ysm – AmP450 – Amycolatopsis mediterranei
    • 6f0c, 6f0b - P450 TXTC – Streptomyces acidiscabies
    • 5gwe, 7ccf – CgP450 CreJ – Corynebacterium glutamicum
    • 5y1i - P450 GFSF – Streptomyces graminofaciens
    • 1cpt – PsP450 TERP - Pseudomonas sp.
    • 4l0e, 4l0f - StP450 SKY32– Streptomyces
    • 3awp, 3awq - SpP450-α (mutant) - Sphingomonas paucimobilis
    • 3a4g, 3a4h – PaP450 VDH – Pseudonocardia autotrophica
    • 3a4z, 5gnm, 5gnl - PaP450 VDH (mutant)
    • 3qi8 – P450 – synthetic
    • 3g1q – TbP450 CYP51 – Trypanosoma brucei
    • 3dam, 3dan, 3dbm – P45074A2 – Parthenium argentatum
    • 2rcm, 3cli - AtP45074A - Arabidopsis thaliana
    • 6j94 - AtP450 CYP97A3
    • 6l8i - AtP450 CYP97A3 (mutant)
    • 5kyo - P450 CYP101J2 – Sphingobium yanoikuyae
    • 3nv5, 3nv6, 4dxy - NaP450 CYP101D2
    • 6n6q - P450 CYP102L1 – Mycobacterium phage adler
    • 4oqs - AoP450 CYP105AS1
    • 3abb – SaP450 CYP105D6 - Streptomyces avermitilis
    • 3e5j, 3e5l - SaP450 CYP105P1 (mutant)
    • 2z3u - SgP450 CYP105A1 (mutant) – Streptomyces griseolus
    • 5xnt - P450 CYP106A2 – Bacillus butanolivorans
    • 6l39 - SrP450 CYP107G1 – Streptomyces rapamycinicus
    • 4wpz - SaP450 CYP107W1
    • 2whw, 2wi9, 2vz7 – SvP450107L1 (mutant) – Streptomyces venezuelae
    • 2bvj - SvP450107L1
    • 3tkt – NaP450 CYP108D1
    • 5ofq - BmP450 CYP109A2
    • 4rm4 - BsP450 CYP109B1
    • 2jjn, 2jjo - SeP450 CYP113A1 (mutant) - Saccharopolyspora erythraea
    • 6ro8 - P450 CYP116B5 – Acinetobacter radioresistens
    • 1io8, 5bv5 – SsP450 CYP119 (mutant) – Sulfolobus solfataricus
    • 1io9, 1io7, 1f4u - SsP450 CYP119
    • 6cvc – MmP450 CYP124A1
    • 5dqn - MsP450 CYP125A3 (mutant) – Mycobacterium smegmatis
    • 3nc3, 3nc5, 3nc6, 3nc7 - BsP450 CYP134A1 (mutant)
    • 7tlo – MmP450 CYP142A3
    • 2zqj – BsP450152A1 – Bacillus subtilis
    • 5fyf - MhP450 CYP153A – Marinobacter hydrocarbonoclasticus
    • 6hqg - P450 CYP153 – Phenylobacterium zucineum
    • 6hqd – PsP450 CYP153
    • 7ant – PoP450 CYP153 - Polaromonas
    • 1gwi - ScP450 CYP154C1
    • 6a7i - SvP450 CYP154C4 – Streptomyces violaceruber
    • 2nz5, 2nza, 2dkk – ScP450 CYP158A1 – Streptomyces coelicolor
    • 3r9b – MsP450 CYP164A2
    • 6dcd – MmP450 CYP164A6
    • 3o1a – P450 CYP165D3 – Actinoplanes teichomyceticus
    • 1n97 – TtP450 CYP175A1
    • 4dnz – RpP450 CYP199A4 – Rhodopseudomonas palustris
    • 2z3t - StrP450 CYP245A1
    • 5liv - ScP450 CYP260A1
    • 6f85 - ScP450 CYP260A1 (mutant)
    • 5hiw - ScP450 CYP260B1
    • 6gk5 - ScP450 CYP267B1
    • 6g71 - P450 CYP1232A24 - Arthrobacter
    • 6m4q - SspP450 – Streptomyces spectabilis
    • 6j82 - SbP450 TleB – Streptomyces blastmyceticus
    • 7ayx - P450 AryC – Streptomyces filamentosus
    • 7oq6 - P450 Sas16 – Streptomyces calvus
    • 6kbh – ReP450 – Rhodococcus erythropolis
    • 7v40 – RcP450 – Rhodococcus coprophilus
    • 6zhz - SanP450 – Streptomyces antibioticus
    • 7qan - P450 – Micromonospora maris
  • Other CYPs complexes
    • 2rfc – PtP450+phenylimidazole
    • 3wec – ReP450 + dihydroxy-aurachin Re
    • 5ysw – AmP450+ rifamycin
    • 5omu – AmP450+ syringol
    • 5oms – AmP450+ guaethol
    • 5ncb – AmP450+ guaiacol
    • 5omr – AmP450+ vanilin
    • 6hqk, 6hql. 6hqm, 6hqn, 6hqo, 6hqp – AoP450 (mutant) + guaiacol
    • 6hqs – AoP450 + syringol
    • 6hqq, 6hqr, 6hqt – AoP450 (mutant) + syringol
    • 4pwv, 4pxh - StP450 SKY32 + peptidyl carrier protein domain
    • 2zqx - BsP450 BS b +heptanoic acid
    • 1izo – BsP450 BS beta+ palmitoleic acid
    • 3awm – SpP450-α + palmitic acid
    • 3a50, 3a51 - PaP450 VDH (mutant) + vitamin D3
    • 5xjn – CgP450 CREJ + ethylphenyl derivative
    • 2rch, 3dsi – AtP450 CYP74A+13(S)-HOD
    • 3dsj - AtP450 CYP74A (mutant)+13(S)-HOD
    • 2rcl - AtP450 CYP74A+vernolic acid
    • 7p6l - P450 CYP505A30 + dodecanoic acid – Mycelyophthora thermophila
    • 3dsk - AtP450 CYP74A (mutant)+ vernolic acid
    • 6a15 - AtP450 CYP90B1 (mutant) + cholesterol
    • 6a16 - AtP450 CYP90B1 (mutant) + uniconazole
    • 6a17 - AtP450 CYP90B1 (mutant) + brassinazole
    • 6a18 - AtP450 CYP90B1 (mutant) + hexanediol
    • 6j94 - AtP450 CYP97A3 + retinal
    • 6l8j - AtP450 CYP97A3 (mutant) + retinal
    • 3cv9, 2zbz - SgP450 CYP105A1 (mutant)+vitamin D3
    • 2zbx - SgP450 CYP105A1+imidazole
    • 5x7e - SgP450 CYP105A1 (mutant)+vitamin D2<br /
    • 3aba – SaP450 CYP105P1+filipin I
    • 3e5k - SaP450 CYP105P1 (mutant)+4-phenylimidazole
    • 4oqr - AoP450 CYP105AS1 (mutant) + compactin
    • 7q9e - PmP450 CYP106A1 – Priestia megaterium
    • 7cvr, [[7cx6], 7czi - PmP450 CYP106A1 + inhibitor
    • 1jin, 1jip - SeP450 CYP107A1+ ketoconazole
    • 1jio, 1oxa - SeP450 CYP107A1+6DEB
    • 1eup – SeP450 CYP107A1+androstendione
    • 1egy - SeP450 CYP107A1+aminophenanthrene
    • 6kzs - SgP450 CYP107F1 + imidazole
    • 6l3a - SrP450 CYP107G1 + drug
    • 4wq0 - SaP450 CYP107W1 + oligomycin
    • 2vzm – SvP450 CYP107L1 (mutant)+narbomycin
    • 2c7x - SvP450 CYP107L1+narbomycin
    • 2cd8, 2ca0, 2c6h – SvP450 CYP107L1+YC-17
    • 4tt5, 4tuv, 4wpd, 4wqj - P450 CYP119+ imidazole derivative – Sulfolobus acidocaldarius
    • 7smz – MmP450 CYP142A3 + cholestenone
    • 5yhj - P450 CYP152N1 + myristic acid - Exiguobacterium
    • 5fyg - MhP450 CYP153A + dodecanoic acid
    • 7ao7 – PoP450 CYP153 + octanol
    • 6to2 - NfP450 CYP154C4 + androstan derivative – Nocardia farcinica
    • 4j6b, 4jbc, 4jbd, 4jbt - NfP450 CYP154C5 + hormone
    • 6a7j - SvP450 CYP154C4 + testosterone
    • 3r9c – MsP450 CYP164A2 + econazole
    • 4do1, 4egm, 6c3j, 6c3h, 6c2d, 5yqh, 5yqa, 5uvb, 5u6w, 5u6u, 5u6t, 5kt1, 5kdb, 6oow, 6pq6, 6pqd, 6pqs, 6pqw, 6prr, 6prs, 6u30, 6u31, 6u3k, 7jw5, 7jxb, 7kcs, 7n14, 7r8s, 7r8t, 7reh – RpP450 CYP199A4 + benzoate derivative
    • 5kdz, 5kdy, 6oox , 7n60– RpP450 CYP199A4 (mutant) + benzoate derivative
    • 4egn – RpP450 CYP199A4 + veratric acid
    • 4egp – RpP450 CYP199A4 + naphthoic acid
    • 46unn – RpP450 CYP199A4 + cinnamic acid derivative
    • 4ego – RpP450 CYP199A4 + indole derivative
    • 3a1l – StrP450 CYP245A1+dichlorochrompyrrolic acid
    • 6f88, 6f8c - ScP450 CYP260A1 (mutant) + progesterone
    • 6f8a - ScP450 CYP260A1 (mutant) + histidine
    • 6gk6 - ScP450 CYP267B1 + myristic acid
    • 6bld - MmP450 CYP268A2 + pseudoionone
    • 4r20 - zP450 17A2 + abiraterone – zebra fish
    • 6b82 - zP450 17A1 (mutant) + abiraterone
    • 4r21 - zP450 17A2 + progesterone
    • 6m4p - SspP450 + antibiotic
    • 6zi3, 7zi7 - SanP450 + rhamnose
    • 7q6x - SanP450 + erythronolide
    • 7q6r, 7q89 - SanP450 (mutant) + erythronolide
    • 6j84 - SbP450 TleB + hydroxyl analog
    • 6j83 - SbP450 TleB + NMVT
    • 7v41, 7v45, 7v46 – RcP450 + toluene derivative

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