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Entry information

Complex
AACDB_ID: 4945
PDBID: 7STZ
Chains: IM_D
Organism: Homo sapiens, Mus musculus
Method: XRD
Resolution (Å): 2.95
Reference: 10.1093/pnasnexus/pgac163
Antibody
Antibody: mAb-1_19A11 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human E-cadherin 1
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>7STZ_I|Chain B[auth H], E[auth I]|mAb-1_19A11 Heavy Chain|Mus musculus (10090)
MAVLGLLLCLVTFPSCVLSQVQLKESGPGLVAPSQSLSITCTVSGFSLSRYGVHWVRQPPGKGLEWLGMMWGGGNTDYNSALKSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCASSNYVLGYAMDYWGQGTSVTVSSAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSPRPSETVTCNVAHPASSTKVDKKIVPRDCHHHHHH

Light Chain: M
Mutation: NULL

>7STZ_M|Chain C[auth L], F[auth M]|mAb-1_19A11 Light Chain|Mus musculus (10090)
MESQTQVLMFLLLWVSGACADIVMTQSPSSLAMSVGQKVTMNCKSSQSLLNSSNQKNYLAWYQQKPGQSPKLLIYFTSTRGSGVPDRFIGSGSGTDFTLTISSVEAEDLADYFCQQHYRTPHTFGGGTKVEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: D
Mutation: NULL

>7STZ_D|Chain A[auth C], D|Cadherin-1|Homo sapiens (9606)
MPLLLLLPLLWAGALADWVIPPISCPENEKGPFPKNLVQIKSNKDKEGKVFYSITGQGADTPPVGVFIIERETGWLKVTEPLDRERIATYTLFSHAVSSNGNAVEDPMEILITVTDQNDNKPEFTQEVFKGSVMEGALPGTSVMEVTATDADDDVNTYNAAIAYTILSQDPELPDKNMFTINRNTGVISVVTTGLDRESFPTYTLVVQAADLQGEGLSTTATAVITVTDTNDNPPIFNPTTYKGQVPENEANVVITTLKVTDADAPNTPAWEAVYTILNDDGGQFVVTTNPVNNDGILKTAKGLDFEAKQQYILHVAVTNVVPFEVSLTTSTATVTVDVLDVNEAPIFVPPEKRVEVSEDFGVGQEITSYTAQEPDTFMEQKITYRIWRDTANWLEINPDTGAISTRAELDREDFEHVKNSTYTALIIATDNGSPVATGTGTLLLILSDVNDNAPIPEPRTIFFCERNPKPQVINIIDADLPPNTSPFTAELTHGASANWTIQYNDPTQESIILKPKMALEVGDYKINLKLMDNQNKDQVTTLEVSVCDCEGAAGVCRKASAWSHPQFEKGGGSGGGSGGSAWSHPQFEK

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)

Chain residues position delta_SASA : residuesposition

I: SER30 ARG31 TRP52 GLY53 GLY54 GLY55 ASN56 THR57 ASP58 TYR100 GLY103 TYR104

M: ASN31 SER32 SER33 ASN34 TYR38 TYR98 ARG99 THR100

D: ASN12 GLU13 LYS14 GLY15 PRO16 PHE17 PRO18 LYS19 ASN20 PRO47 VAL48 GLY49 ILE52 LYS61 THR63 GLU64 PRO65 LEU66 ASP67 ARG70

2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.

Interacting residues (Atom distance based)

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