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Entry information

Complex
AACDB_ID: 6423
PDBID: 8OXX
Chains: BC_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.50
Reference: 10.1038/s41467-023-42004-z
Antibody
Antibody: DH63-B02 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Human transglutaminase 3
Antigen mutation: No
Durg Target: Q08188

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>8OXX_B|Chain B|Antibody fab fragment heavy chain|Homo sapiens (9606)
EVQLVESGGGLVQPGRSLRLSCTASGFTFDDYAMHWVRQAPGKGLEWVSRISWNSRSIAYADSVKGRFTISRDSAKNSLYLQMNSLRTEDTALYYCAKDHYLGSDSYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPK

Light Chain: C
Mutation: NULL

>8OXX_C|Chain C|Antibody fab fragment light chain|Homo sapiens (9606)
NFMLTQPHSVSESPGKTVTISCTRSSGSIDSNYVQWYQQRPGSAPTIVIHEDNQRPSGVPDRFSGSIDTSSNSASLTISGLKTEDEADYYCQSYDPSNVVFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: NULL

>8OXX_A|Chain A|Protein-glutamine gamma-glutamyltransferase E 27 kDa non-catalytic chain|Homo sapiens (9606)
AALGVQSINWQTAFNRQAHHTDKFSSQELILRRGQNFQVLMIMNKGLGSNERLEFIVSTGPYPSESAMTKAVFPLSNGSSGGWSAVLQASNGNTLTISISSPASAPIGRYTMALQIFSQGGISSVKLGTFILLFNPWLNVDSVFMGNHAEREEYVQEDAGIIFVGSTNRIGMIGWNFGQFEEDILSICLSILDRSLNFRRDAATDVASRNDPKYVGRVLSAMINSNDDNGVLAGNWSGTYTGGRDPRSWNGSVEILKNWKKSGFSPVRYGQCWVFAGTLNTALRSLGIPSRVITNFNSAHDTDRNLSVDVYYDPMGNPLDKGSDSVWNFHVWNEGWFVRSDLGPSYGGWQVLDATPQERSQGVFQCGPASVIGVREGDVQLNFDMPFIFAEVNADRITWLYDNTTGKQWKNSVNSHTIGRYISTKAVGSNARMDVTDKYKYPEGSDQERQVFQKALGKLK

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

B: THR28 ASP30 ASP31 TRP53 TYR101 LEU102 GLY103 SER104 ASP105 SER106

C: ASP30 SER31 ASN32 TYR33 GLU51 ASP52 ASN53 TYR94 PRO96

A: GLU183 ASP184 TYR241 THR242 GLY243 GLY244 ARG245 TRP250 GLU255 LYS258 ASN259 LYS261 LYS262 SER263 GLY264 SER266 PRO267 VAL268 ARG269 TYR270

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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