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Entry information

Complex
AACDB_ID: 3003
PDBID: 6VGR
Chains: HL_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.84
Reference: 10.1016/j.jsb.2020.107512
Antibody
Antibody: SC-003 Fab
Antibody mutation: No
INN (Clinical Trial): Tamrintamab(Phase-I)
Antigen
Antigen: Dipeptidase 3
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6VGR_H|Chain C, E[auth H]|SC-003 Fab Heavy Chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYWIEWVRQAPGQGLEWMGEILPGSGNTYYNERFKDRVTITADESTSTAYMELSSLRSEDTAVYYCARRAAAYYSNPEWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>6VGR_L|Chain D, F[auth L]|SC-003 Fab Light Chain|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCTASSSVNSFYLHWYQQKPGLAPRLLIYSTSNLASGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCHQYHRSPYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: B
Mutation: NULL

>6VGR_B|Chain A, B|Dipeptidase 3|Homo sapiens (9606)
MQPTGREGSRALSRRYLRRLLLLLLLLLLRQPVTRAETTPGAPRALSTLGSPSLFTTPGVPSALTTPGLTTPGTPKTLDLRGRAQALMRSFPLVDGHNDLPQVLRQRYKNVLQDVNLRNFSHGQTSLDRLRDGLVGAQFWSASVSCQSQDQTAVRLALEQIDLIHRMCASYSELELVTSAEGLNSSQKLACLIGVEGGHSLDSSLSVLRSFYVLGVRYLTLTFTCSTPWAESSTKFRHHMYTNVSGLTSFGEKVVEELNRLGMMIDLSYASDTLIRRVLEVSQAPVIFSHSAARAVCDNLLNVPDDILQLLKKNGGIVMVTLSMGVLQCNLLANVSTVADHFDHIRAVIGSEFIGIGGNYDGTGRFPQGLEDVSTYPVLIEELLSRSWSEEELQGVLRGNLLRVFRQVEKVREESRAQSPVEAEFPYGQLSTSCHSHLVPQNGHQATHLEVTKQPTNRVPWRSSNASPYLVPGLVAAATIPTFTQWLC

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)

H: TRP33 GLU50 TYR59 GLU62 LYS65 ARG99 TYR103 TYR104 ASN106 TRP109

L: ILE2 SER27 SER28 ASN30 TYR33 TYR92 HIS93 ARG94 SER95 PRO96 TYR97

B: GLU256 ARG260 GLN283 GLN407 LYS410 VAL411 GLU413 GLU414 SER415 ARG416 ALA417 GLN418 SER419 PRO420 VAL421 GLU422

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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