人的B7H3蛋白3D建模

通过mgenthreader进行折叠相似搜索

http://bioinf4.cs.ucl.ac.uk:3000/psipred/result/49728

结构比对图：

经过NCBI查询，3bisA与3bikA为相同的序列,即3BIS与3BIK他们的A 链相同，信息如下：

http://www.ncbi.nlm.nih.gov/sites/entrez?cmd=Retrieve&db=protein&dopt=GenPept&RID=Z1P9NW9B01N&log$=prottop&blast_rank=2&list_uids=168988884

PDB: 3BISA

Chain A, Crystal Structure Of The Pd-L1

>gi|168988887|pdb|3BIS|A Chain A, Crystal Structure Of The Pd-L1 AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARL LKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQA EGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIP ELPLAHPPNERT

PDB: 3BIKA

Chain A, Crystal Structure Of The Pd-1PD-L1 Complex

>gi|168988884|pdb|3BIK|A Chain A, Crystal Structure Of The Pd-1PD-L1 Complex AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARL LKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPVTSEHELTCQA EGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFRRLDPEENHTAELVIP ELPLAHPPNERT

通过Modeller进行蛋白三维模拟

http://www.uohyd.ernet.in/modellergui/

（一）、3bik.pdb为模板(DOPE score较下面低，理论上好点)

首先以下载的3bik.pdb为模板，进行建模，结果如下：

此图黄色区域结构显示的是3bik中A链的三维结构

当以上面的3bik为模板，对human_b7h3_2ig_cyt-out序列进行三维建模，结果如下： 第一步：perform alignment result:

_aln.pos 10 20 30 40 50 60

template1A AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQ query -LEVQVPEDPVVALVGTDATLCCSFSPEPGFSLAQLNLIWQL--TDTKQLVHSFAEGQDQGSAYAN _consrvd * ** * * * * * * * ** * * * ** * * * _helix 99999 _beta 99999999999999999 999999999 999999

_aln.pos 70 80 90 100 110 120 130

template1A RARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYNKINQRILVVDPV-- query RTALFPDLLAQGNASLRLQRVRVADEGSFTCFVSIRDFGSAAVSLQVAAPYSKPSMTLEPNKDLRP _consrvd * * * * *** * * * * * * * *** * _helix 99999999

_beta 9999999 9999999999 999999999999 9999999999

_aln.pos 140 150 160 170 180 190

template1A TSEHELTCQA-EGYPKAEVIWTSSDHQVLSGKTTTTNSKREEKLFNVTSTLRINTTTNEIFYCTFR query GDTVTITCSSYRGYPEAEVFWQDGQGVPLTGNVTTSQMANEQGLFDVHSVLRVVLGANGTYSCLVR _consrvd ** *** *** * * * ** * ** * * ** * * * _helix

_beta 999999999 999 999999999 99999999 999999999999 999999999

_aln.pos 200 210 220 template1A RLDPEENHTAELVIPE--L----- query NPVLQQDAHGSVTITGQPMTFPPE _consrvd * _helix

_beta 99 999999999999