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Entry information

Complex
AACDB_ID: 606
PDBID: 3NPS
Chains: BC_A
Organism: Homo sapiens
Method: XRD
Resolution (Å): 1.50
Reference: 10.1016/j.jmb.2011.11.036
Antibody
Antibody: S4 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Suppressor of tumorigenicity 14 protein
Antigen mutation: Yes
Durg Target: Q9Y5Y6

Sequence information

Antibody

Heavy Chain: B
Mutation: NULL

>3NPS_B|Chain B|S4 FAB HEAVY CHAIN|Homo sapiens (9606)
EVQLVQSGAEVKKPGSSVKVSCKASGGTFSSYAISWVRQAGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARTFHIRRYRSGYYDKMDHWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLESSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPK

Light Chain: C
Mutation: NULL

>3NPS_C|Chain C|S4 FAB LIGHT CHAIN|Homo sapiens (9606)
VLTQPPSVSGAPGQRVTISCSGSSSNIGSNYVSWYQQKPGTAPKLLIYDNNQRPSGVPDRFSGSKSGTSAVLAITGLQSEDEADYYCQSRDISQYVFGGGTKLTVLRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRG

Antigen

Chain: A
Mutation: C117S

>3NPS_A|Chain A|Suppressor of tumorigenicity 14 protein|Homo sapiens (9606)
VVGGTDADEGEWPWQVSLHALGQGHICGASLISPNWLVSAAHCYIDDRGFRYSDPTQWTAFLGLHDQSQRSAPGVQERRLKRIISHPFFNDFTFDYDIALLELEKPAEYSSMVRPISLPDASHVFPAGKAIWVTGWGHTQYGGTGALILQKGEIRVINQTTCENLLPQQITPRMMCVGFLSGGVDSCQGDSGGPLSSVEADGRIFQAGVVSWGDGCAQRNKPGVYTRLPLFRDWIKENTGV

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)

B: GLU1 SER30 SER31 TYR32 ILE53 PHE54 HIS97 ILE98 ARG99 ASP101 HIS102

C: GLY29 SER30 ASN31 TYR32 ASP50 ASN51 ASN52 GLN53 PRO55 SER56 GLY57 LYS66 ARG91

A: ILE41 CYS42 HIS57 CYS58 ASP96 PHE97 THR98 PHE99 HIS143 TYR146 GLY147 GLY148 THR150 PRO173 GLN174 GLN175 ASP189 SER190 CYS191 GLN192 SER195 VAL213 TRP215 GLY216 GLY219 CYS220 GLN221 GLY226

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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