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Entry information

Complex
AACDB_ID: 1237
PDBID: 5CZV
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.19
Reference: 10.1038/onc.2016.133
Antibody
Antibody: 20350 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: H
Mutation: NULL

>5CZV_H|Chain B[auth H]|Fab 20350 heavy chain|Homo sapiens (9606)
QVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYTISWVRQAPGQGLEWMGWIKPRWGAAHYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARGSFWFGYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: L
Mutation: NULL

>5CZV_L|Chain C[auth L]|Fab 20350 light chain|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQGINNYLNWYQQKPGKAPKLLIYDASKLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYLQYPMTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>5CZV_A|Chain A|Neurogenic locus notch homolog protein 3|Homo sapiens (9606)
APEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARRELAPEVIGSVVMLEIDNRLCLQSPENDHCFPDAQSAADYLGALSAVERLDFPYPLRDVRGEPLEPPEPSGSHHHHHH

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: SER31 TYR32 THR33 TRP50 LYS52 ARG54 TRP55 ALA57 ALA58 HIS59 GLY99 SER100 PHE101 TRP102 TYR105

L: GLY28 ASN30 ASN31 TYR32 TYR49 ASP50 SER52 LYS53 GLN55 TYR91 LEU92 GLN93 TYR94 MET96

A: GLN1427 GLU1429 CYS1442 PRO1444 ALA1445 SER1447 SER1448 PRO1449 ALA1450 TYR1453 CYS1458 HIS1459 GLY1461 GLY1462 GLU1464 LEU1507 LEU1508 ARG1510 LEU1592 SER1594 PRO1595 GLU1596 ASN1597 ASP1598 HIS1599 CYS1600 PRO1602 ASP1603 SER1606

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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