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Entry information

Complex
AACDB_ID: 7089
PDBID: 5D1Q
Chains: CD_E
Organism: Homo sapiens, Staphylococcus aureus RF122
Method: XRD
Resolution (Å): 3.22
Reference: 10.1038/ncomms13376
Antibody
Antibody: D2-06-N2 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Iron-regulated surface determinant protein B (IsdB) NEAT2
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: C
Mutation: NULL

>5D1Q_C|Chain C|P5 Heavy Chain|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLTLSCAASGLIFSDSTMHWVRQASGRGLEWVARIRSKANNYATSSDKSATAYLASVKGRFTISRDDSKDTTFLEMSSLKIEDTAVYYCIASSTTGWYVREDFDYWGHGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCGGGSGHHHHHHHHHHGGDYKDHDGDYKDHDIDYKDDDDK

Light Chain: D
Mutation: NULL

>5D1Q_D|Chain D|P5 Light Chain|Homo sapiens (9606)
EIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLSISRLEPEDFAVYYCLHYGTSPMYTFGQGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: E
Mutation: NULL

>5D1Q_E|Chain E|Iron-regulated surface determinant protein B|Staphylococcus aureus (strain bovine RF122 / ET3-1) (273036)
PGKMTDLQDTKYVVYESVENNESMMDTFVKHPIKTGMLNGKKYMVMETTNDDYWKDFMVEGQRVRTISKDAKNNTRTIIFPYVEGKTLYDAIVKVHVKTIDYDGQYHVRIVDKEAFTKAN

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: THR97 GLY99

D: VAL29 SER30 SER31 TYR32 GLY50 SER52 SER53 ARG54 ASP60 GLY66 SER67 GLY68

E: LYS341 MET342 THR343 ASP344 LEU345 GLN346 ASP347 LYS368 PRO370 LYS372 VAL383 GLU385 ILE405 SER406 LYS410 ASN411 THR415

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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