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chain_groups/train_6659_no_overlap_s79_s90.csv CHANGED
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- Source Data Set,Complex ID,PDB,Mutations,Ligand Chains,Receptor Chains,Ligand Name,Receptor Name,KD(M),Affinity Method,Structure Method,Temperature(K),Resolution(Å),PDB PubMed ID,PDB Release Date,Affinity PubMed ID,Affinity Release Date,Subgroup,Ligand Sequences,Receptor Sequences,ligand_seq,receptor_seq,n_ligand_chains,n_receptor_chains,temperature_K,pKd,binding affinity (kcal/mol)
2
  PDBbind v2020,"2AQ1:G, H::PMID=16338399",2AQ1,,G,H,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,1,1,298.15,8.259637310505756,-11.268184630051255
3
  PDBbind v2020,"2AQ1:A, B::PMID=16338399",2AQ1,,A,B,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK,1,1,298.15,8.259637310505756,-11.268184630051255
4
  PDBbind v2020,"2AQ1:C, D::PMID=16338399",2AQ1,,C,D,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,1,1,298.15,8.259637310505756,-11.268184630051255
 
1
+ Source Data Set,Complex ID,PDB,Mutations,Ligand Chains,Receptor Chains,Ligand Name,Receptor Name,KD(M),Affinity Method,Structure Method,Temperature(K),Resolution(Å),PDB PubMed ID,PDB Release Date,Affinity PubMed ID,Affinity Release Date,Subgroup,ligand_chain_sequences,receptor_chain_sequences,ligand_seq,receptor_seq,n_ligand_chains,n_receptor_chains,temperature_K,pKd,binding affinity (kcal/mol)
2
  PDBbind v2020,"2AQ1:G, H::PMID=16338399",2AQ1,,G,H,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,ESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,1,1,298.15,8.259637310505756,-11.268184630051255
3
  PDBbind v2020,"2AQ1:A, B::PMID=16338399",2AQ1,,A,B,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTK,1,1,298.15,8.259637310505756,-11.268184630051255
4
  PDBbind v2020,"2AQ1:C, D::PMID=16338399",2AQ1,,C,D,TCR V beta H72Q-r,superantigen SEC3 mutant,5.5e-09,Unknown,X-RAY DIFFRACTION,,2.1,16338399.0,2006-03-21,16338399,2005 Dec,TCR-pMHC,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,AAVTQSPRNKVAVTGEKVTLSCQQTNNHNNMYWYRQDTGHGLRLIHYSYGVGNTEKGDIPDGYEASRPSQEQFSLILVSATPSQSSVYFCASGVGGTLYFGAGTRLSVL,SQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKDNVWWHGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG,1,1,298.15,8.259637310505756,-11.268184630051255