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Entry information

Complex
AACDB_ID: 1625
PDBID: 5O14
Chains: CD_B
Organism: Neisseria meningitidis MC58, Homo sapiens
Method: XRD
Resolution (Å): 2.19
Reference: 10.1038/s41467-018-02827-7
Antibody
Antibody: 1A12 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Factor H binding protein variant 1.1
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>5O14_C|Chain C, F[auth H]|Fab 1A12 Heavy Chain|Homo sapiens (9606)
EVQLVQSGAELKKPGESLKISCKASGYTFTNYWVVWVRQMPGEGLEWMGSIHPRDSDARYSLSFEGRVTFSVDKSTTTAYLQWSSLKVSDSAIYYCARLSQVSGWSPWVGPWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKLEHHHHHH

Light Chain: D
Mutation: NULL

>5O14_D|Chain D, E[auth L]|Fab 1A12 Light Chain|Homo sapiens (9606)
ADIVMTQSPSSLSASVGDRVTITCRASQSISVSLNWYQQKPGKAPKVLIYAASRLQSGIPSRFSGSGSGSHFTLTISSLQPEDFATYYCQETYSDLMYTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGECS

Antigen

Chain: B
Mutation: NULL

>5O14_B|Chain A, B|Factor H binding protein variant 1.1|Neisseria meningitidis serogroup B (strain MC58) (122586)
MVAADIGAGLADALTAPLDHKDKGLQSLTLDQSVRKNEKLKLAAQGAEKTYGNGDSLNTGKLKNDKVSRFDFIRQIEVDGQLITLESGEFQVYKQSHSALTAFQTEQIQDSEHSGKMVAKRQFRIGDIAGEHTSFDKLPEGGRATYRGTAFGSDDAGGKLTYTIDFAAKQGNGKIEHLKSPELNVDLAAADIKPDGKRHAVISGSVLYNQAEKGSYSLGIFGGKAQEVAGSAEVKTVNGIRHIGLAAKQLEHHHHHH

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

C: ASN31 TYR32 TRP33 HIS52 ARG54 ASP55 ASP57 ARG59 LEU99 GLN101 SER103 GLY104 TRP105 SER106 PRO107

D: SER30 VAL31 SER32 ALA50 THR91 TYR92 SER93 ASP94 LEU95 TYR97

B: ASP160 ASP161 GLY163 LYS180 ILE181 GLU182 HIS183 LYS185 PRO187 GLU188 ASN190 VAL191 ASP192 LEU213 TYR214 ASN215 GLN216 ALA217 VAL243 ASN244

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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