1KND

Crystal Structure of 2,3-dihydroxybiphenyl 1,2-dioxygenase Complexed with Catechol under Anaerobic Condition

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GO(遺伝子オントロジー)由来の情報

鎖名GO(遺伝子オントロジー)id名前空間内容
A0018583molecular_functionbiphenyl-2,3-diol 1,2-dioxygenase activity
A0008198molecular_functionferrous iron binding
A0019439biological_processaromatic compound catabolic process
A0042178biological_processxenobiotic catabolic process
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PDBデータベースに由来する情報

site_id残基数詳細
AC17BINDING SITE FOR RESIDUE FE2 A 500
鎖名残基
AHIS146
AHIS210
AGLU260
ACAQ301
AHOH3001
AHOH3012
AHOH9001

AC21BINDING SITE FOR RESIDUE FE2 A 501
鎖名残基
AHIS189

AC314BINDING SITE FOR RESIDUE CAQ A 301
鎖名残基
AHIS146
APHE187
AHIS195
AHIS210
AHIS241
AASN243
AASP244
ATYR250
AGLU260
AFE2500
AHOH3001
AHOH3012
AHOH9001
AHOH9002

AC44BINDING SITE FOR RESIDUE TBU A 601
鎖名残基
ASER236
ATYR250
AARG289
ATBU600

AC54BINDING SITE FOR RESIDUE TBU A 600
鎖名残基
APHE202
ATYR250
APRO280
ATBU601

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「HETATM」原子の座標から抽出されたリガンド結合部位

site_id残基数詳細
CAQ_1knd_A_30112CATECHOL binding site
鎖名残基ligand
AHIS146CAQ: CATECHOL
AVAL148CAQ: CATECHOL
AILE173CAQ: CATECHOL
APHE187CAQ: CATECHOL
AHIS195CAQ: CATECHOL
AHIS210CAQ: CATECHOL
AHIS241CAQ: CATECHOL
AASN243-ASP244CAQ: CATECHOL
ATYR250CAQ: CATECHOL
AGLU260CAQ: CATECHOL
APRO280CAQ: CATECHOL

TBU_1knd_A_6009TERTIARY-BUTYL ALCOHOL binding site
鎖名残基ligand
AVAL148TBU: TERTIARY-BUTYL ALCOHOL
AMET175TBU: TERTIARY-BUTYL ALCOHOL
APHE187TBU: TERTIARY-BUTYL ALCOHOL
APHE202TBU: TERTIARY-BUTYL ALCOHOL
AHIS209-HIS210TBU: TERTIARY-BUTYL ALCOHOL
AHIS241TBU: TERTIARY-BUTYL ALCOHOL
ATYR250TBU: TERTIARY-BUTYL ALCOHOL
APRO280TBU: TERTIARY-BUTYL ALCOHOL

TBU_1knd_A_6019TERTIARY-BUTYL ALCOHOL binding site
鎖名残基ligand
AMET175TBU: TERTIARY-BUTYL ALCOHOL
AHIS209TBU: TERTIARY-BUTYL ALCOHOL
ASER236TBU: TERTIARY-BUTYL ALCOHOL
AHIS241TBU: TERTIARY-BUTYL ALCOHOL
ATYR250TBU: TERTIARY-BUTYL ALCOHOL
APRO280-SER281TBU: TERTIARY-BUTYL ALCOHOL
AHIS285TBU: TERTIARY-BUTYL ALCOHOL
AARG289TBU: TERTIARY-BUTYL ALCOHOL

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UniProtにおけるモチーフ・データベースPROSITEからの機能情報

site_id残基数詳細
PS0008222Extradiol ring-cleavage dioxygenases signature. [GNTIV]-x-H-x(5,7)-[LIVMF]-Y-x(2)-[DENTA]-P-x-[GP]-x(2,3)-E
鎖名残基詳細
AGLY239-GLU260

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SwissProt/UniProtに記載されている蛋白質分子機能情報

site_id残基数詳細
SWS_FT_FI13Iron
鎖名残基詳細
AHIS145
AHIS209
AGLU259

CSA13Annotated By Reference To The Literature 1mpy
鎖名残基詳細
AHIS195
AHIS241
ATYR250

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CSAにおける酵素触媒機能の情報

site_id残基数詳細
CSA13Annotated By Reference To The Literature 1mpy
鎖名残基詳細
AHIS195
AHIS241
ATYR250