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Entry information

Complex
AACDB_ID: 582
PDBID: 3LIZ
Chains: HL_A
Organism: Blattella germanica, Mus musculus
Method: XRD
Resolution (Å): 1.80
Reference: 10.1371/journal.pone.0022223
Antibody
Antibody: 4C3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Aspartic protease Bla g 2
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3LIZ_H|Chain C[auth H]|4C3 monoclonal antibody Heavy Chain|Mus musculus (10090)
EVQLVESGGGLVQPGGSLKLSCAASGFTFSSFAMSWGRQTPDKRLELVATINSNGASTYYPDTVKGRFTISRDNAKNTLFLQMSSLKSEDTAMYYCTRDPAGRAWFAYWGQGTLVTVSAAKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGCKPCICTVPEVSSVFIFPPKPKDVLTITLTP

Light Chain: L
Mutation: NULL

>3LIZ_L|Chain B[auth L]|4C3 monoclonal antibody Light Chain|Mus musculus (10090)
QIVLTQSPSSMYASLGERVTITCKASQDINNYLSWFQQKPGKSPKTLIYRADRLVDGVPSRVSGSGSGQDYSLTISSLEYEDLGIYYCLQYDELPYTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR

Antigen

Chain: A
Mutation: NULL

>3LIZ_A|Chain A|Aspartic protease Bla g 2|Blattella germanica (6973)
EAEASIVPLYKLVHVFINTQYAGITKIGNQNFLTVFDSTSCNVVVASQECVGGACVCPNLQKYEKLKPKYISDGNVQVKFFDTGSAVGRGIEDSLTISQLTTSQQDIVLADELSQEVCILSADVVVGIAAPGCPNALKGKTVLENFVEENLIAPVFSIHHARFQDGEHFGEIIFGGSDWKYVDGEFTYVPLVGDDSWKFRLDGVKIGDTTVAPAGTQAIIDTSKAIIVGPKAYVNPINEAIGCVVEKTTTRRICKLDCSKIPSLPDVTFVINGRNFNISSQYYIQQNGNLCYSGFQPCGHSDHFFIGDFFVDHYYSEFNWENKTMGFGRSVESV

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

L: ASN30 TYR32 TYR91 ASP92 GLU93 LEU94 TYR96

H: PHE27 THR28 SER30 SER31 PHE32 ALA33 ASN52 SER53 ASN54 ALA56 SER57 ASP99 PRO100 ALA101 GLY102 ARG103 ALA104 TRP105

A: LYS198 ILE199 GLY200 ASP201 THR202 GLU233 ALA234 ILE235 GLY236 CYS237 VAL238 ASP248 SER250 LYS251 PRO253 SER254 LEU255 PRO256 ASP257 THR259 ASN266 ASN268 SER270 SER271 GLN272 TYR273

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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