对于数据集:10.2900备注200在最高分辨率外壳中备注200。备注200最高分辨率外壳,范围高(A):2.31备注200最高分辨率外壳,范围低(A):2.39备注200壳体完整性(%):97.7在外壳中备注200数据冗余:5.10备注200 R壳体合并(I):0.37000壳体注释200 R SYM(I):空备注200对于壳体:2.980备注200REMARK 200衍射协议:单波长备注200用于确定结构的方法:分子替换备注200使用的软件:PHENIX备注200启动型号:5WFL备注200备注200备注:空备注280备注280晶体备注280溶剂含量,VS(%):59.01备注280马修斯系数,VM(角度**3/DA):3.00备注280备注280结晶条件:1.2-1.5 M硫酸铵,0.5-0.7%备注280 PEG-MME-550,0.1 M BIS-TRIS PH=6.0-6.5,蒸汽扩散,备注280吊坠,温度295K备注290备注290晶体对称性备注290空间群的对称算子:C 1 2 1备注290备注290对称性备注290 NNNMMM操作员备注290 1555 X、Y、Z备注290 2555-X、Y、-Z备注290 3555 X+1/2,Y+1/2,Z备注290 4555-X+1/2,Y+1/2,-Z备注290备注290,其中NNN->操作员编号备注290 MMM->翻译向量备注290备注290晶体对称变换备注290以下变换作用于原子/混合体在本条目中备注290条记录,以制作结晶备注290个相关分子。备注290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 0.00000备注290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000备注290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000备注290 SMTRY1 2-1.00000000.000000 0.000000 0.00000备注290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000备注290 SMTRY3 2 0.000000 0.000000-1.000000 0.00000备注290平方米1 3 1.000000 0.000000 0.000000 80.86000备注290 SMTRY2 3 0.000000 1.0000000.000000 34.37750备注290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000备注290 SMTRY1 4-1.00000000.000000 0.000000 80.86000备注290 SMTRY2 4 0.000000 1.0000000.000000 34.37750备注290 SMTRY3 4 0.000000 0.000000-1.000000 0.00000备注290备注290备注:空备注300备注300生物分子:1、2、3备注300有关作者提供的和/或程序,请参阅备注350备注300中生成的结构装配信息备注300此条目。备注还可能提供有关备注300埋地面积。备注350记下代表已知的完整乘数的350个坐标备注350生物意义上的齐聚状态备注350应用生物转化可以生成分子记住下面给出的350。非晶态和备注:给出了350个晶体分析操作。备注350备注350生物分子:1备注350作者确定的生物单位:TRIMERIC备注350将以下内容应用于链条:A、B、P备注350生物1 1.0000000.000000 0.000000 0.00000 0.00000备注350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000备注350生物3 1 0.000000 0.000000 1.000000 0.00000备注350备注350生物分子:2备注350作者确定的生物单位:单体备注350软件确定的四元结构:单数备注350使用的软件:PISA备注350总埋地面积:0安**2备注复合体的350表面积:11800安**2备注350无溶剂能量变化:0.0 KCAL/MOL备注350将以下内容应用于链条:A备注350生物量1 1.000000 0.000000 0.000000 0.000000 0.00000备注350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000备注350生物3 1 0.000000 0.000000 1.000000 0.00000备注350备注350生物分子:3备注350作者确定的生物单位:DIMERICremark350软件确定的四元结构:二聚体备注350使用的软件:PISA备注350总埋地面积:1250安**2备注复合体的350表面积:11840安**2备注350无溶剂能量变化:1.0 KCAL/MOL备注350将以下内容应用于链条:B、P备注350生物1 1.0000000.000000 0.000000 0.00000 0.00000备注350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000备注350生物3 1 0.000000 0.000000 1.000000 0.00000备注465备注465缺失残留物备注465以下残留物不在备注465实验。(M=型号;RES=剩余名称;C=链条备注465标识符;SSSEQ=序列号;I=插入代码。)备注465备注465 M RES C SSSEQI备注465 VAL A 324备注465 GLY A 325备注465 ARG A 326备注465 CYS A 613备注465 ARG A 614备注465 LYS A 615备注465 GLN A 616备注465 ILE A 617备注465 ASP A 618备注465 GLN A 619备注465 GLN A 620备注465 ASN A 621备注465 CYS A 622备注465 THR A 623备注465 CYS A 624备注465 VAL B 324备注465 GLY B 325备注465 ARG B 326备注465 MET B 610备注465 GLU B 611备注465 PRO B 612备注465 CYS B 613备注465 ARG B 614备注465 LYS B 615备注465 GLN B 616备注465 ILE B 617备注465 ASP B 618备注465 GLN B 619备注465 GLN B 620备注465 ASN B 621备注465 CYS B 622注释465至B 623备注465 CYS B 624备注470备注470缺少原子备注470以下残留物缺少原子(M=型号;备注470 RES=剩余名称;C=链标识符;SSEQ=序列号;备注470 I=插入代码):备注470 M RES CSSEQI ATOMS备注470符合610 SD CE备注470 ASN B 346 CG OD1 ND2备注470 GLU B 446 CG CD OE1 OE2备注470 GLN B 563 CG CD OE1 NE2备注500评论500几何学和立体化学备注500子主题:同一非对称单元中的紧密接触备注500备注500以下原子紧密接触。备注500备注500 ATM1 RES C色齐ATM2 RES C色齐距离备注500 NH1 ARG A 483 O HOH A 701 1.74备注500 NH1 ARG B 380 OE1 GLU P 83 1.91备注500 OH TYR B 490 OD1 ASN B 495 2.15备注500 NH2 ARG B 415 OE1 GLU P 80 2.18备注500 OG SER B 410 OE2 GLU B 441 2.19备注500备注500备注:空备注500评论500几何学和立体化学备注500子主题:同等保函长度备注500备注500以下残留物的立体化学参数备注500的值与预期值相差更多备注500大于6*RMSD(M=型号;RES=剩余名称;C=链条备注500标识符;SSEQ=序列号;I=插入代码)。备注500备注500标准表:备注500格式:(10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)备注500备注500预期值蛋白质:ENGH和HUBER,1999备注500预期值核酸:CLOWNEY等人,1996年备注500备注500米RES CSSEQI ATM1 RES CSEQI ATM2偏差备注500 PHE P 84 C ALA P 85 N-0.157备注500 ALA P 85 C ALA P 85O 0.185备注500备注500备注:空备注500评论500几何学和立体化学备注500子主题:等效结合角备注500备注500以下残留物的立体化学参数备注500的值与预期值相差更多备注500大于6*RMSD(M=型号;RES=剩余名称;C=链条备注500标识符;SSEQ=序列号;I=插入代码)。备注500备注500标准表:备注500格式:(10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)备注500备注500蛋白质期望值:ENGH和HUBER,1999备注500预期值核酸:CLOWNEY等人,1996年备注500备注500米RES CSSEQI ATM1 ATM2 ATM3备注500 ALA P 85 CB-CA-C ANGL。偏差=-15.1度备注500 ALA P 85 N-CA-C ANGL。偏差=18.0度备注500备注500备注:空备注500评论500几何学和立体化学备注500主题:扭转角备注500在预期的拉马钱德兰区域外标注500个扭转角:备注500(M=型号;RES=剩余名称;C=链标识符;备注500 SSEQ=序列号;I=插入代码)。备注500备注500标准表:备注500格式:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)备注500备注500个预期值:GJ KLEYWEGT和TA JONES(1996)。PHI/PSI-记下500首合唱:拉马钱德朗重审。结构4,1395-1400备注500备注500 M RES CSSEQI PSI PHI备注500 ARG A 336-11.24 64.21注释500 THR A 481-45.78-130.46备注500 HIS A 516-101.34 53.31备注500 VAL A 547-163.30-121.08备注500他的A 575-36.42-130.17备注500 GLU A 611 138.74 123.82备注500 ARG B 336-28.05 67.85备注500 LEU B 355-158.67-115.99备注500 ASN B 387 70.95-158.61备注500 VAL B 453-169.25-121.85备注500 THR B 481-48.93-136.67备注500 ARG B 494-5.52-141.97备注500 HIS B 516-103.27 57.81备注500 GLN B 528-34.55-137.93备注500 VAL B 547-156.93-122.31备注500 HIS B 575-39.71-135.52备注500备注500备注:空备注500注释500几何与立体化学备注500子主题:非CIS、非TRANS备注500请注意500以下肽键与这两个键都有显著差异备注500 CIS和转换构造。CIS债券(如有)已上市在CISPEP记录上备注500。TRANS定义为180+/-30备注500 CIS定义为0+/-30度。备注500型OMEGA备注500 THR A 609 MET A 610-149.40备注500备注500备注:空DBREF 7K2B A 324 624 UNP Q14145 KEAP1_HUMAN 324 626号文件DBREF 7K2B B 324 624 UNP Q14145 KEAP1_HUMAN 324 626号文件DBREF 7K2B P 76 86 PDB 7K2B7 K2B 76 86数据库SEQADV 7K2B ALA A 540 UNP Q14145 GLU 540工程突变SEQADV 7K2B ALA A 542 UNP Q14145 GLU 542基因工程突变SEQADV 7K2B ALA B 540 UNP Q14145 GLU 540工程突变SEQADV 7K2B ALA B 542 UNP Q14145 GLU 542基因工程突变序列1 A 301 VAL GLY ARG LEU ILE TYR THR ALA GLY GLY TYR PHE ARG序列2 A 301 GLN SER LEU SER TYR LEU GLU ALA TYR ASN PRO SER ASP序列3 A 301 GLY THR TRP LEU ARG LEU ALA ASP LEU GLN VAL PRO ARG序列4 A 301 SER-GLY LEU ALA GLY CYS VAL GLY LEU LEU TYR序列5 A 301 ALA VAL GLY GLY ARG ASN ASN SER PRO ASP GLY ASN THR序列6 A 301 ASP SER SER ALA LEU ASP CYS轮胎ASN PRO MET THR ASN序列7 A 301 GLN TRP SER PRO CYS ALA PRO MET SER VAL PRO ARG ASN序列8 A 301 ARG ILE GLY VAL GLY VAL ILE ASP GLY HIS ILE TYR ALA序列9 301 VAL GLY GLY SER HIS GLY CYS ILE HIS ASN SER VALSEQRES 10 A 301 GLU ARG TYR GLU PRO GLU ARG ASP GLU TRP HIS LEU VAL序列11 A 301 ALA PRO MET LEU THR ARG ARG ILE GLY VAL GLY VAL ALA序列12 A 301 VAL LEU ASN ARG LEU TYR ALA VAL GLY GLY PHE ASP序列13 A 301 GLY THR ASN ARG LEU ASN SER ALA GLU CYS TYR PRO序列14 A 301 GLU ARG ASN GLU TRP ARG MET ILE THR ALA MET ASN THR序列15 A 301 ILE ARG SER GLY ALA GLY VAL CYS VAL LEU HIS ASN CYS序列16 A 301 ILE TYR ALA ALA GLY GLY TYR ASP GLY GLN ASP GLN LEU序列17 A 301 ASN SER VAL GLU ARG TYR ASP VAL ALA THR ALA TRP序列18 A 301 THR PHE VAL ALA PRO MET LYS HIS ARG ARG SER ALA LEU序列19 A 301 GLY ILE THR VAL HIS GLN GLY ARG ILE TYR VAL LEU GLY序列20 A 301 GLY TYR ASP GLY HIS THR PHE LEU ASP SER VAL GLU CYS序列21 A 301轮胎ASP专业ASP推力ASP推力TRP SER GLU VAL推力配置总成序列22 A 301 MET THR SER GLY ARG SER GLY-VAL GLY VAL ALA VAL THR序列23 A 301 MET GLU PRO CYS ARG LYS GLN ILE ASP GLN ASN CYS序列24 A 301 THR CYS序列1 B 301 VAL GLY ARG LEU ILE TYR THR ALA GLY GLY TYR PHE ARG序列2 B 301 GLN SER LEU SER TYR LEU GLU ALA TYR ASN PRO SER ASP序列3 B 301 GLY THR TRP LEU ARG LEU ALA ASP LEU GLN VAL PRO ARG序列4 B 301 SER GLY LEU ALA GLY CYS VAL GLY LEY TYR序列5 B 301 ALA VAL GLY GLY ARG ASN ASN SER PRO ASP GLY ASN THR序列6 B 301 ASP SER SER ALA LEU ASP CYS轮胎ASN PRO MET THR ASN序列7 B 301 GLN TRP SER PRO CYS ALA PRO MET SER VAL PRO ARG ASN序列8 B 301 ARG ILE GLY VAL GLY VAL ILE ASP GLY HIS ILE TYR ALA序列9 B 301 VAL GLY GLY SER HIS GLY CYS ILE HIS ASN SER VAL序列10 B 301 GLU ARG TYR GLU PRO GLU AR G ASP GLU TRP HIS LEU VAL序列11 B 301 ALA PRO MET LEU THR ARG ARG ILE GLY VAL GLY VAL ALA序列12 B 301 VAL LEU ASN ARG LEU TYR ALA VAL GLY GLY PHE ASP序列13 B 301 GLY THR ASN ARG LEU ASN SER ALA GLU CYS TYR PRO序列14 B 301 GLU ARG ASN GLU TRP ARG MET ILE THR ALA MET ASN THR序列15 B 301 ILE ARG SER GLY ALA GLY VAL CYS VAL LEU HIS ASN CYS序列16 B 301 ILE TYR ALA ALA GLY GLY TYR ASP GLY GLN ASP GLN LEU序列17 B 301 ASN SER VAL GLU ARG TYR ASP VAL ALA THR ALA THR-TRPSEQRES 18 B 301 THR PHE VAL ALA PRO遇到LYS HIS ARG ARG SER ALA LEU序列19 B 301 GLY ILE THR VAL HIS GLN GLY ARG ILE TYR VAL LEU GLY序列20 B 301 GLY TYR ASP GLY HIS THR PHE LEU ASP SER VAL GLU CYS序列21 B 301轮胎ASP PRO ASP THR ASP TRP SER GLU VAL THR ARG序列22 B 301 MET THR SER GLY ARG SER GLY-VAL GLY VAL ALA VAL THR序列23 B 301 MET GLU PRO CYS ARG LYS GLN ILE ASP GLN ASN CYS序列24 B 301 THR CYS序列1 P 11 ACE ALA ASP GLU GLU THR GLY GLU PHE ALA NH2HET计轴评估器P 76 3HET NH2 P 86 1HETNAM ACE ACETYL集团HETNAM NH2 AMINO集团表3 ACE C2 H4 O配方3 NH2 H2 N配方4 HOH*175(H2 O)表1 AA1 4 TRP A 352 ARG A 354 0表2 AA1 4 LEU A 342 TYR A 345-1 N ALA 344 O LEU A 353表3 AA1 4 ILE A 328 ALA A 331-1 N THR A 330 O GLU A 343表4 AA1 4 GLY A 605 VAL A 608-1 O ALA 607 N TYR A 329表1 AA2 4 ALA A 366 VAL A 370 0表2 AA2 4 LEU A 373 VAL A 377-1 O TYR A 375 N CYS A 368表3 AA2 4 LEU A 393 ASN A 397-1 O TYR A 396 N LEU A 374表4 AA2 4 GLN A 402 PRO A 405-1 O SER A 404 N CYS A 395表1 AA3 2 ARG A 380 SER A 383 0表2 AA3 2 GLY A 386 ASP A 389-1 O GLY A 3806 N SER A 383表1 AA4 4 GLY A 417 ILE A 421 0表2 AA4 4 HIS A 424 VAL A 428-1 O TYR A 426 N GLY A 419表3 AA4 4 VAL A 440 TYR A 443-1 O GLU A 441 N ALA 427表4 AA4 4 TRP A 450 VAL A 453-1 O HIS A 451 N ARG A 442表1 AA5 2 SER A 431 HIS A 432 0表2 AA5 2 ILE A 435 HIS A 436-1 O ILE A 43 5 N HIS A 43 2表1 AA6 4 GLY A 464 LEU A 468 0表2 AA6 4 LEU A 471 VAL A 475-1 O VAL A 47 5 N GLY A 464表3 AA6 4 ALA 487 TYR A 490-1 O TYR B 490 N LEU A 472表4 AA6 4 TRP A 497 ILE A 500-1 O ARG A 498 N CYS A 489表1 AA7 4 GLY A 511 LEU A 515 0表2 AA7 4 CYS A 518 ALA A 522-1 O TYR A 520 N CYS A513表3 AA7 4 VAL A 534 ASP A 538-1 O GLU A 535 N ALA 521表4 AA7 4 THR A 543 PHE A 546-1 O THR A 545 N ARG A 536表1 AA8 4 GLY A 558 HIS A 562 0表2 AA8 4 ARG A 565 LEU A 569-1 O TYR A 567 N THR A 560表3 AA8 4 SER A 580 ASP A 585-1 O TYR A 584 N ILE A 566表4 AA8 4 THR A 590 ARG A 596-1 O SER A 592 N CYS A 583表1 AA9 4 TRP B 352 ARG B 354 0表2 AA9 4 LEU B 342 TYR B 345-1 N ALA B 344 O LEU B 353表3 AA9 4 ILE B 328 ALA B 331-1 N THR B 330 O GLU B 343表4 AA9 4 GLY B 605 VAL B 608-1 O GLY B 60 5 N ALA B 331表1 AB1 4 ALA B 366 VAL B 370 0表2 AB1 4 LEU B 373 VAL B 377-1 O LEU B 37.3 N VAL B 370表3 AB1 4 LEU B 393 ASN B 397-1 O TYR B 396 N LEU B 374表4 AB1 4 GLN B 402 PRO B 405-1 O SER B 404 N CYS B 395表1 AB2 2 ARG B 380 SER B 383 0表2 AB2 2 GLY B 386 ASP B 389-1 O THR B 388 N ASN B 381表1 AB3 4 GLY B 417 ILE B 421 0表2 AB3 4 HIS B 424 VAL B 428-1 O VAL B 428 N GLY B 417表3 AB3 4 VAL B 440 TYR B 443-1 O GLU B 441 N ALA B 427表4 AB3 4 TRP B 450 LEU B 452-1 O HIS B 451 N ARG B 442表1 AB4 2 SER B 431 HIS B 432 0表2 AB4 2 ILE B 435 HIS B 436-1 O ILE B 43 5 N HIS B 43表1 AB5 4 GLY B 464 LEU B 468 0表2 AB5 4 LEU B 471 PHE B 478-1 O VAL B 475 N GLY B 464表3 AB5 4 ARG B 483 TYR B 490-1 O TYR B490 N LEU B 472表4 AB5 4 TRP B 497 MET B 499-1 O ARG B 498 N CYS B 489表1 AB6 4 GLY B 511 LEU B 515 0表2 AB6 4 CYS B 518 ALA B 522-1 O TYR B 520 N CYS B513表3 AB6 4 VAL B 534 ASP B 538-1 O TYR B 537 N ILE B 519表4 AB6 4 THR B 543 PHE B 546-1 O THR B 54 3 N ASP B 538表1 AB7 4 GLY B 558 HIS B 562 0表2 AB7 4 ARG B 565 LEU B 569-1 O ARG B 56 5 N HIS B 562表3 AB7 4 SER B 580 ASP B 585-1 O TYR B 584 N ILE B 566表4 AB7 4 THR B 590 ARG B 596-1 O VAL B 594 N VAL B 581链路C ACE P 76 N ALA P 77 1555 1555 1.35链路C ALA P 85 N NH2 P 86 1555 1555 1.39晶体1 161.720 68.755 77.617 90.00 117.60 90.00 C 1 2 1 8原始X1 1.000000 0.000000 0.000000 0.00000 0.00000ORIGX2 0.000000 1.000000 0.000000 0.00000 0.00000原始3 0.000000 0.000000 1.000000 0.00000比例尺1 0.006184 0.000000 0.003233 0.00000比例尺2 0.000000 0.014544 0.000000 0.00000比例尺3 0.000000 0.000000 0.014538 0.00000