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Entry information

Complex
AACDB_ID: 3235
PDBID: 6XSW
Chains: GI_J
Organism: Rattus norvegicus, Homo sapiens
Method: XRD
Resolution (Å): 2.98
Reference: 10.1016/j.xcrm.2021.100279
Antibody
Antibody: Anti-N3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Neurogenic locus notch homolog protein 3
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: G
Mutation: NULL

>6XSW_G|Chain A, D, G, H|Anti-N3 Fab Heavy Chain|Rattus norvegicus (10116)
EVQLVESGGGLVQPGGSLRLSCAASGYAFTDYWMTWVRQAPGKGLEWVAEISPNSGGTNFNEKFKGRFTISVDNAKNSLYLQMNSLRAEDTAVYYCARGEIRYNWFAYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHTCPPC

Light Chain: I
Mutation: NULL

>6XSW_I|Chain B, E, I, K[auth L]|Anti-N3 Fab Light Chain|Rattus norvegicus (10116)
DIQMTQSPSSLSASVGDRVTITCKASQNVGNNIAWYQQKPGKAPKLLIYYASNRYTGVPSRFSGSGYGTDFTLTISSLQPEDFATYYCQRLYNSPFTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: J
Mutation: NULL

>6XSW_J|Chain C, F, J, L[auth X]|Neurogenic locus notch homolog protein 3|Homo sapiens (9606)
METDTLLLWVLLLWVPGSTGGSGHHHHHHGENLYFQSAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPL

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)

G: TRP33 GLU50 SER54 GLY56 ASN58 ILE97 ARG98 TYR99

I: GLN27 ASN28 ASN31 TYR49 TYR50 SER52 ASN53 ARG54 THR56 TYR67 ARG90 TYR92 ASN93 SER94 PHE96

J: ALA1395 ASP1399 GLN1400 ARG1401 CYS1402 ASP1403 ARG1404 GLY1416 ASP1417 CYS1418 LEU1420 SER1421 LEU1519 LEU1520 PRO1521 GLU1524 ARG1527 TYR1559 SER1616 GLU1619 ARG1620 LEU1621 ASP1622 PHE1623 PRO1624 TYR1625 PRO1626 LEU1627 ARG1628

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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