4BZO

Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor

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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
A0005737cellular_componentcytoplasm
A0005829cellular_componentcytosol
A0005730cellular_componentnucleolus
A0005654cellular_componentnucleoplasm
A0005634cellular_componentnucleus
A0005886cellular_componentplasma membrane
A0005524molecular_functionATP binding
A0030145molecular_functionmanganese ion binding
A0004674molecular_functionprotein serine/threonine kinase activity
A0043024molecular_functionribosomal small subunit binding
A0008134molecular_functiontranscription factor binding
A0006915biological_processapoptotic process
A0007049biological_processcell cycle
A0008283biological_processcell proliferation
A0019221biological_processcytokine-mediated signaling pathway
A0030212biological_processhyaluronan metabolic process
A0007275biological_processmulticellular organism development
A0043066biological_processnegative regulation of apoptotic process
A0043433biological_processnegative regulation of DNA-binding transcription factor activity
A0060045biological_processpositive regulation of cardiac muscle cell proliferation
A1905062biological_processpositive regulation of cardioblast proliferation
A0045737biological_processpositive regulation of cyclin-dependent protein serine/threonine kinase activity
A0045893biological_processpositive regulation of transcription, DNA-templated
A0046777biological_processprotein autophosphorylation
A0006468biological_processprotein phosphorylation
A0050821biological_processprotein stabilization
A1902033biological_processregulation of hematopoietic stem cell proliferation
A0070561biological_processvitamin D receptor signaling pathway
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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
AC115BINDING SITE FOR RESIDUE 676 A 1306
鎖名残基
ALEU44
AGLY45
APHE49
AALA65
ALYS67
AILE104
AGLU121
AARG122
AASP128
AILE185
AASP186
AHOH2005
AHOH2024
AHOH2036
AHOH2037

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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
676_4bzo_A_130621N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE binding site
鎖名残基ligand
ALEU44-SER46676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
APHE49676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AVAL52676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AALA65676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
ALYS67676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AGLU89676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AILE104676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
ALEU120-PRO123676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AVAL126676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AASP128676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AASP131676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AGLU171-ASN172676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
ALEU174676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE
AILE185-ASP186676: N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE

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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
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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_FI11Proton acceptor (By similarity).
鎖名残基詳細
AASP168

SWS_FT_FI22ATP.
鎖名残基詳細
ALYS68
AASP129

SWS_FT_FI31ATP; via carbonyl oxygen.
鎖名残基詳細
AGLU122

SWS_FT_FI49ATP (By similarity).
鎖名残基詳細
ALEU45-VAL53

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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