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Entry information

Complex
AACDB_ID: 2279
PDBID: 6HHC
Chains: HL_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.70
Reference: 10.1016/j.jmb.2019.09.008
Antibody
Antibody: FXIA Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Coagulation factor XI
Antigen mutation: No
Durg Target: P03951

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6HHC_H|Chain B[auth H]|FXIA ANTIBODY FAB HEAVY CHAIN|Homo sapiens (9606)
EVQLLESGGGLVQPGGSLRLSCAASGFTFSQYGMDWVRQAPGKGLEWVSGIGPSGGSTVYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCTRGGPYYYYGMDVWGQGTTVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTH

Light Chain: L
Mutation: NULL

>6HHC_L|Chain A[auth L]|FXIA ANTIBODY FAB LIGHT CHAIN|Homo sapiens (9606)
AQDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYYCQQANSFPVTFGGGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYSREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: A
Mutation: NULL

>6HHC_A|Chain C[auth A]|Coagulation factor XI|Homo sapiens (9606)
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV

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)

L: SER32 ASN33 TYR34 TYR51 ASP52 ASN55 THR58 ALA93 ASN94 SER95 PHE96

H: THR28 GLN31 TYR32 GLY33 MET34 ASP35 GLY50 ILE51 GLY52 PRO53 SER57 GLY99 GLY100 PRO101 TYR102 TYR103 TYR104 TYR105

A: HIS406 PRO410 THR411 GLN412 ARG413 HIS414 ASN450 GLN451 SER452 ILE454 LYS455 ARG522 LYS523 LEU524 ARG525 ASP526 LYS527 ILE528 GLN529 ASN530 THR531

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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