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Entry information

Complex
AACDB_ID: 2140
PDBID: 6CYF
Chains: TU_Q
Organism: Pseudomonas aeruginosa, Homo sapiens
Method: XRD
Resolution (Å): 2.78
Reference: 10.1093/infdis/jiy438
Antibody
Antibody: MEDI3902 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Pseudomonas aeruginosa type 3 secretion system (PcrV)
Antigen mutation: No
Durg Target: O30527

Sequence information

Antibody

Heavy Chain: T
Mutation: NULL

>6CYF_T|Chain B[auth C], E, H[auth L], K[auth T]|IgG1 antibody, kappa light chain|homo sapiens (9606)
AIQMTQSPSSLSASVGDRVTITCRASQGIRNDLGWYQQKPGKAPKLLIYSASTLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCLQDYNYPWTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Light Chain: U
Mutation: NULL

>6CYF_U|Chain C[auth D], F, I[auth M], L[auth U]|IgG1 antibody, heavy chain fragment|homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMDWVRQAPGKGLEWVSAITMSGITAYYTDDVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCAKEEFLPGTHYFYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Antigen

Chain: Q
Mutation: NULL

>6CYF_Q|Chain A, D[auth B], G[auth I], J[auth Q]|Type III secretion system protein|Pseudomonas aeruginosa (287)
RNLNAARELFLDELKALTAELKVYSVIQSQINAALSARQGIRIDAGGIDLVDPTLYGYAVGDPRWKDSPEYALLSNLDTFSGKLSIKDFLSGSPKQSGELKGLSDEYPFEKDNNPVGNFATTVSDRSR

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)

T: ARG30 ASP32 ASP91 TYR92 ASN93 TYR94

U: THR52 SER54 ILE56 THR57 TYR59 LEU102 GLY104 THR105 HIS106 TYR107 PHE108 TYR109

Q: ALA158 ARG159 GLN160 GLY161 ARG163 ASP165 SER225 ASP226 GLU227 PRO229 PHE230 GLU231 LYS232 ASP233

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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