PMC:7784834 / 19155-20175 JSONTXT

{"project":"LitCovid-PubTator","denotations":[{"id":"254","span":{"begin":224,"end":229},"obj":"Gene"},{"id":"255","span":{"begin":407,"end":412},"obj":"Gene"},{"id":"256","span":{"begin":925,"end":928},"obj":"Gene"},{"id":"257","span":{"begin":597,"end":606},"obj":"CellLine"},{"id":"258","span":{"begin":622,"end":631},"obj":"CellLine"},{"id":"259","span":{"begin":497,"end":508},"obj":"Mutation"}],"attributes":[{"id":"A254","pred":"tao:has_database_id","subj":"254","obj":"Gene:43740568"},{"id":"A255","pred":"tao:has_database_id","subj":"255","obj":"Gene:43740568"},{"id":"A256","pred":"tao:has_database_id","subj":"256","obj":"Gene:55573"},{"id":"A257","pred":"tao:has_database_id","subj":"257","obj":"CVCL:V775"},{"id":"A258","pred":"tao:has_database_id","subj":"258","obj":"CVCL:0023"},{"id":"A259","pred":"tao:has_standard_notation","subj":"259","obj":"c.271,274,Q,T\u003eC"}],"namespaces":[{"prefix":"Tax","uri":"https://www.ncbi.nlm.nih.gov/taxonomy/"},{"prefix":"MESH","uri":"https://id.nlm.nih.gov/mesh/"},{"prefix":"Gene","uri":"https://www.ncbi.nlm.nih.gov/gene/"},{"prefix":"CVCL","uri":"https://web.expasy.org/cellosaurus/CVCL_"}],"text":"3.1. Binding pocket analysis\nThe binding pocket volume and surface area were determined through CASTp webserver. Binding pocket was forecasted at the surface as well as in the interior of proteins. Binding pocket volume of spike protein and main protease was 22,908 and 319 (SA), respectively which signifies an optimum space for ligand binding. The binding residues as predicted in the binding cavity for spike protein were Y38-S45, V47-L54, P85-D88,T108,K195-Y200,K202-Y204,P225-D228,I233-R237,Q271-T274,C291-A292,E298,C301-K304,Y313-N317,R319-V327,D364-S366,Y369-N370,Y380-T393,P412,D427-T430,F515-H519,A522,P527-T531,N540-T549,Q564-D568,A570-T573,V576-R577,P579,I587,P589-F592,G594,M740-Y741,G744,F855-N856,Q954,Q957-A958,N960-D979,R983,V991,D994-R995,T998-R1000,Q1002-S1003,T1006-Y1007,Q1010, and R1014 around which the receptor grid was formed. The receptor grid was also created around the catalytic region (T24-L27, H41, C44-S46, M49, P52, Y54, F140-C145, H163-P168, H172, D187-T190, and Q192) of main protease."}

{"project":"LitCovid-sentences","denotations":[{"id":"T127","span":{"begin":0,"end":4},"obj":"Sentence"},{"id":"T128","span":{"begin":6,"end":29},"obj":"Sentence"},{"id":"T129","span":{"begin":30,"end":113},"obj":"Sentence"},{"id":"T130","span":{"begin":114,"end":198},"obj":"Sentence"},{"id":"T131","span":{"begin":199,"end":346},"obj":"Sentence"},{"id":"T132","span":{"begin":347,"end":851},"obj":"Sentence"},{"id":"T133","span":{"begin":852,"end":1020},"obj":"Sentence"}],"namespaces":[{"prefix":"_base","uri":"http://pubannotation.org/ontology/tao.owl#"}],"text":"3.1. Binding pocket analysis\nThe binding pocket volume and surface area were determined through CASTp webserver. Binding pocket was forecasted at the surface as well as in the interior of proteins. Binding pocket volume of spike protein and main protease was 22,908 and 319 (SA), respectively which signifies an optimum space for ligand binding. The binding residues as predicted in the binding cavity for spike protein were Y38-S45, V47-L54, P85-D88,T108,K195-Y200,K202-Y204,P225-D228,I233-R237,Q271-T274,C291-A292,E298,C301-K304,Y313-N317,R319-V327,D364-S366,Y369-N370,Y380-T393,P412,D427-T430,F515-H519,A522,P527-T531,N540-T549,Q564-D568,A570-T573,V576-R577,P579,I587,P589-F592,G594,M740-Y741,G744,F855-N856,Q954,Q957-A958,N960-D979,R983,V991,D994-R995,T998-R1000,Q1002-S1003,T1006-Y1007,Q1010, and R1014 around which the receptor grid was formed. The receptor grid was also created around the catalytic region (T24-L27, H41, C44-S46, M49, P52, Y54, F140-C145, H163-P168, H172, D187-T190, and Q192) of main protease."}