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1NNY

Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy

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
A0004725molecular_functionprotein tyrosine phosphatase activity
A0006470biological_processprotein dephosphorylation
A0016311biological_processdephosphorylation
PDBデータベースに由来する情報
site_idAC1
残基数22
詳細BINDING SITE FOR RESIDUE 515 A 322
鎖名残基
ATYR20
AILE219
AGLY220
AARG221
AARG254
AGLN262
ATHR263
AGLN266
AGLY283
AHOH413
AHOH418
AARG24
AHOH464
AHOH465
AHOH501
ASER28
ATYR46
AASP48
ACYS215
ASER216
AALA217
AGLY218

UniProtにおけるモチーフ・データベースPROSITEからの機能情報
site_idPS00383
残基数11
詳細TYR_PHOSPHATASE_1 Tyrosine specific protein phosphatases active site. VHCsaGigRSG
鎖名残基詳細
AVAL213-GLY223

SwissProt/UniProtに記載されている蛋白質分子機能情報
site_idSWS_FT_FI1
残基数1
詳細ACT_SITE: Phosphocysteine intermediate
鎖名残基詳細
ACYS215

site_idSWS_FT_FI2
残基数1
詳細BINDING:
鎖名残基詳細
AASP181

site_idSWS_FT_FI3
残基数2
詳細BINDING: BINDING => ECO:0000250
鎖名残基詳細
ACYS215
AGLN262

site_idSWS_FT_FI4
残基数1
詳細MOD_RES: N-acetylmethionine => ECO:0000269|PubMed:2546149
鎖名残基詳細
AMET1

site_idSWS_FT_FI5
残基数1
詳細MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455
鎖名残基詳細
ATYR20

site_idSWS_FT_FI6
残基数1
詳細MOD_RES: Phosphoserine; by PKB/AKT1, CLK1 and CLK2 => ECO:0000269|PubMed:10480872, ECO:0000269|PubMed:11579209, ECO:0007744|PubMed:23186163
鎖名残基詳細
ASER50

site_idSWS_FT_FI7
残基数1
詳細MOD_RES: Phosphotyrosine; by EGFR => ECO:0000269|PubMed:9355745
鎖名残基詳細
ATYR66

site_idSWS_FT_FI8
残基数1
詳細MOD_RES: S-nitrosocysteine; in reversibly inhibited form => ECO:0000269|PubMed:22169477
鎖名残基詳細
ACYS215

site_idSWS_FT_FI9
残基数2
詳細MOD_RES: Phosphoserine; by CLK1 and CLK2 => ECO:0000269|PubMed:10480872
鎖名残基詳細
ASER242
ASER243

site_idSWS_FT_FI10
残基数2
詳細CROSSLNK: N,N-(cysteine-1,S-diyl)serine (Cys-Ser); in inhibited form => ECO:0000269|PubMed:12802338, ECO:0000269|PubMed:12802339
鎖名残基詳細
ACYS215
ASER216

CSAにおける酵素触媒機能の情報
site_idMCSA1
残基数5
詳細M-CSA 469
鎖名残基詳細
AASP181proton shuttle (general acid/base)
ACYS215covalent catalysis
AARG221activator, electrostatic stabiliser
ASER222activator, electrostatic stabiliser
AGLN262steric role

217705

件を2024-03-27に公開中

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