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Entry information

Complex
AACDB_ID: 7294
PDBID: 7NWL
Chains: DE_B
Organism: Homo sapiens, Mus musculus
Method: EM
Resolution (Å): 3.10
Reference: 10.1126/sciadv.abe9716
Antibody
Antibody: TS2/16 Fv
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Integrin β1
Antigen mutation: No
Durg Target: P05556

Sequence information

Antibody

Heavy Chain: D
Mutation: NULL

>7NWL_D|Chain D|TS2/16 VH(S112C)-SARAH Chimera|Mus musculus (10090)
MDVKLVESGGGLVKPGGSLKLSCAASGFTFSSYTMSWVRQTPEKRLEWVATISSGGSYTYYPDSVKGRFTISRDKAKNTLYLQMGSLKSEDTAMYYCTRIGYDEDYAMDHWGQGTSVTVCSGSDYEFLKSWTVEDLQKRLLALDPMMEQEIEEIRQKYQSKRQPILDAIEAK

Light Chain: E
Mutation: NULL

>7NWL_E|Chain E|TS2/16 VL-SARAH(S37C) Chimera|Mus musculus (10090)
GSHMQIVVTQRPTTMAASPGDKIIITCSVSSIISSNYLHWYSQKPGFSPKLLIYRTSNLASGVPPRFSGSGSGTSYSLTIGTMEAEDVATYYCQQGSDIPLTFGDGTKLDLKRGSDYEFLKSWTVEDLQKRLLALDPMMEQEIEEIRQKYQCKRQPILDAIEAK

Antigen

Chain: B
Mutation: NULL

>7NWL_B|Chain B|Integrin beta-1|Homo sapiens (9606)
QTDENRCLKANAKSCGECIQAGPNCGWCTNSTFLQEGMPTSARCDDLEALKKKGCPPDDIENPRGSKDIKKNKNVTNRSKGTAEKLKPEDIHQIQPQQLVLRLRSGEPQTFTLKFKRAEDYPIDLYYLMDLSYSMKDDLENVKSLGTDLMNEMRRITSDFRIGFGSFVEKTVMPYISTTPAKLRNPCTSEQNCTTPFSYKNVLSLTNKGEVFNELVGKQRISGNLDSPEGGFDAIMQVAVCGSLIGWRNVTRLLVFSTDAGFHFAGDGKLGGIVLPNDGQCHLENNMYTMSHYYDYPSIAHLVQKLSENNIQTIFAVTEEFQPVYKELKNLIPKSAVGTLSANSSNVIQLIIDAYNSLSSEVILENGKLSEGVTISYKSYCKNGVNGTGENGRKCSNISIGDEVQFEISITSNKCPKKDSDSFKIRPLGFTEEVEVILQYICECECQSEGIPESPKCHEGNGTFECGACRCNEGRVGRHCECSTDEVNSEDMDAYCRKENSSEICSNNGECVCGQCVCRKRDNTNEIYSGKFCECDNFNCDRSNGLICGGNGVCKCRVCECNPNYTGSACDCSLDTSTCEASNGQICNGRGICECGVCKCTDPKFQGQTCEMCQTCLGVCAEHKECVQCRAFNKGEKKDTCTQECSYFNITKVESRDKLPQPVQPDPVSHCKEKDVDDCWFYFTYSVNGNNEVMVHVVENPECPTGPDIIPIVAGVVAGIVLIGLALLLIWKLLMIIHDRREFAKFEKEKMNAKWDTGENPIYKSAVTTVVNPKYEGK

Interaction

1、Solvent accessible surface areas (SASA) were calculated (Naccess V2.1.1) for each residue in antibody and antigen, respectively. The residues with SASA loss in binding of more than 1Å2 were classified as interacting residues.

Interacting residues (ΔSASA based)

D: SER52 GLY53 TYR56 TYR58 ASP98 GLU99

E: SER-2 HIS-1 MET0 ILE2 SER27 ILE28 ILE29 SER30 ASN31 TYR32 ARG50 ASN53 SER67 GLY68 GLY91 SER92 ASP93 ILE94

B: LYS80 LYS85 PRO88 SER158 ASP159 ARG161 VAL202 LEU203 SER204 LEU205 THR206 ASN207 LYS208 GLU210 VAL211 GLU214 LEU215 LYS218 SER243 LEU244 GLY246 TRP247 ARG248 ASN249 ASN285 ASN286

2、We defined interacting paratope-epitope residues by a distance cutoff of < 5Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 5 Å from any atom.

Interacting residues (Atom distance based)

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