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Entry information

Complex
AACDB_ID: 662
PDBID: 3U30
Chains: FE_D
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.43
Reference: 10.1016/j.jmb.2011.12.053
Antibody
Antibody: 3U30 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: linear di-ubiquitin
Antigen mutation: No
Durg Target: P0CG47; P0CG47; P0CG48; P0CG48; P0CG48; P0CG48; P0CG48; P0CG48; P0CG48; P0CG48; P0CG48; Q8ID50; Q8ID50;

Sequence information

Antibody

Heavy Chain: F
Mutation: NULL

>3U30_F|Chain C, F|Heavy chain Fab|Homo sapiens (9606)
EVQLVESGGGLVQPGGSLRLSCAASGFTFSNTYISWVRQAPGKGLEWVASITPSSGQTDYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCARTWLLRWVMDLWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT

Light Chain: E
Mutation: NULL

>3U30_E|Chain B, E|Light chain Fab|Homo sapiens (9606)
DIQMTQSPSSLSASVGDRVTITCRASQDVSTAVAWYQQKPGKAPKLLIYSAKFLYSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQSYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: D
Mutation: NULL

>3U30_D|Chain A, D|linear di-ubiquitin|Homo sapiens (9606)
MGSSHHHHHHSSGLVPRGSHMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGGMQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG

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

E: THR31 TYR49 SER50 PHE53 TYR55 SER56

F: SER30 ASN31 THR32 TYR33 PRO52 SER53 SER54 GLY55 GLN56 THR57 THR73 THR95 TRP96 LEU97 LEU98 ARG99

D: THR7 LEU8 THR9 GLN31 ASP32 LYS33 GLU34 GLY35 ILE36 PRO37 GLN40 ARG42 VAL70 LEU71 ARG72 LEU73 ARG74 GLY75 GLY76 MET77 PRO95 SER133 ASP134 ASN136 ILE137 GLN138 LYS139

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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