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Entry information

Complex
AACDB_ID: 523
PDBID: 3IYW
Chains: KM_C
Organism: West Nile virus, Homo sapiens
Method: EM
Resolution (Å): 13.70
Reference: 10.1073/pnas.1011036107
Antibody
Antibody: CR4354 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: West Nile virus Polyprotein
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: K
Mutation: NULL

>3IYW_K|Chain D[auth H], F[auth K]|CR4354 Fab fragment X1, heavy chain H|Homo sapiens (9606)
QVQLVQSGAEVRKPGASTKVSCKASGYTFTHYYMHWVRQAPGQGLEWMGIINPSGGSTTYAQKLQGRVTMTRDTSTSTVYMELSSLRSEDTAVYYCARDWGSNYVWGSYPKYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVEPKSCDKTH

Light Chain: M
Mutation: NULL

>3IYW_M|Chain E[auth L], G[auth M]|CR4354 Fab fragment X1, light chain L|Homo sapiens (9606)
QSVLTQPSSVSGTPGQRVTISCSGSSSNIGSNTVNWYQQLPGTAPKLLIYGNNQRPSGVPDRFSGSKSGTSASLAISGLQSEDEADYYCAAWDDSLNGPVFGGGTKLTVLGAAAGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: C
Mutation: NULL

>3IYW_C|Chain A, B, C|Envelope glycoprotein|West Nile virus (11082)
FNCLGMSNRDFLEGVSGATWVDLVLEGDSCVTIMSKDKPTIDVKMMNMEAANLAEVRSYCYLATVSDLSTKAACPTMGEAHNDKRADPAFVCRQGVVDRGWGNGCGLFGKGSIDTCAKFACSTKAIGRTILKENIKYEVAIFVHGPTTVESHGNYSTQVGATQAGRFSITPAAPSYTLKLGEYGEVTVDCEPRSGIDTNAYYVMTVGTKTFLVHREWFMDLNLPWSSAGSTVWRNRETLMEFEEPHATKQSVIALGSQEGALHQALAGAIPVEFSSNTVKLTSGHLKCRVKMEKLQLKGTTYGVCSKAFKFLGTPADTGHGTVVLELQYTGTDGPCKVPISSVASLNDLTPVGRLVTVNPFVSVATANAKVLIELEPPFGDSYIVVGRGEQQINHHWHKS

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)

K: TYR27 THR28 PHE29 THR30 HIS31 TYR32 TYR33 ASN52 SER54 GLY55 ARG72 THR74 SER75 SER77 TRP100 GLY101 SER102 ASN103 TYR104 LYS111 TYR112

M: TYR50 PRO56 SER57

C: ASN47 GLU49 ALA50 ALA51 ASN52 GLU133 ASN134 ILE135 LYS136 TYR137 GLU138 TYR155 SER156 VAL159 ARG166 PHE167 SER168 THR170 PRO171 ALA172 TYR176 SER276 ASN277 THR278

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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