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Entry information

Complex
AACDB_ID: 7151
PDBID: 5M2J
Chains: D_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.90
Reference: 10.3389/fimmu.2017.00867
Antibody
Antibody: 2 VHH
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Tumor necrosis factor (TNF)
Antigen mutation: No
Durg Target: P01375

Sequence information

Antibody

Chain: D
Mutation: NULL

>5M2J_D|Chain B[auth D]|Anti-(ED-B) scFV|Homo sapiens (9606)
QVQLVESGGGLVQPGGSLRLSCAASGFTFSNYWMYWVRQAPGKGLEWVSEINTNGLITKYPDSVKGRFTISRDNAKNTLYLQMNSLKPEDTALYYCARSPSGFNRGQGTQVTVSS

Antigen

Chain: A
Mutation: NULL

>5M2J_A|Chain A|Tumor necrosis factor|Homo sapiens (9606)
VRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL

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)

D: ASN31 TYR32 TRP33 TYR35 GLU50 ASN52 THR53 ASN54 LEU56 ILE57 LYS59 ARG98 SER99 PRO100 SER101 PHE103

A: LEU75 THR77 THR79 SER81 TYR87 GLN88 THR89 LYS90 VAL91 ASN92 SER95 ILE97 GLU135 ILE136 ASN137

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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