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Entry information

Complex
AACDB_ID: 1234
PDBID: 5CUS
Chains: IM_B
Organism: Homo sapiens
Method: XRD
Resolution (Å): 3.20
Reference: 10.1073/pnas.1518361112
Antibody
Antibody: KTN3379 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Receptor tyrosine-protein kinase erbB-3
Antigen mutation: No
Durg Target: P21860

Sequence information

Antibody

Heavy Chain: I
Mutation: NULL

>5CUS_I|Chain E[auth H], G[auth I], H[auth J], I[auth K]|IgG H chain|Homo sapiens (9606)
EVQLLESGGGLVQPGGSLRLSCAASGFTFSYYYMQWVRQAPGKGLEWVSYIGSSGGVTNYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARVGLGDAFDIWGQGTMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: M
Mutation: NULL

>5CUS_M|Chain F[auth L], J[auth M], K[auth N], L[auth O]|Fab LC region of KTN3379|Homo sapiens (9606)
QSVLTQPPSASGTPGQRVTISCSGSLSNIGLNYVSWYQQLPGTAPKLLISRNNQRPSGVPDRFSGSKSGTSASLAISGLRSEDEADYYCAAWDDSPPGEAFGGGTKLTVLGQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPVKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: B
Mutation: NULL

>5CUS_B|Chain A, B, C, D|Receptor tyrosine-protein kinase erbB-3|Homo sapiens (9606)
SEVGNSQAVCPGTLNGLSVTGDAENQYQTLYKLYERCEVVMGNLEIVLTGHNADLSFLQWIREVTGYVLVAMNEFSTLPLPNLRVVRGTQVYDGKFAIFVMLNYNTNSSHALRQLRLTQLTEILSGGVYIEKNDKLCHMDTIDWRDIVRDRDAEIVVKDNGRSCPPCHEVCKGRCWGPGSEDCQTLTKTICAPQCNGHCFGPNPNQCCHDECAGGCSGPQDTDCFACRHFNDSGACVPRCPQPLVYNKLTFQLEPNPHTKYQYGGVCVASCPHNFVVDQTSCVRACPPDKMEVDKNGLKMCEPCGGLCPKACEGTGSGSRFQTVDSSNIDGFVNCTKILGNLDFLITGLNGDPWHKIPALDPEKLNVFRTVREITGYLNIQSWPPHMHNFSVFSNLTTIGGRSLYNRGFSLLIMKNLNVTSLGFRSLKEISAGRIYISANRQLCYHHSLNWTKVLRGPTEERLDIKHNRPRRDCVAEGKVCDPLCSSGGCWGPGPGQCLSCRNYSRGGVCVTHCNFLNGEPREFAHEAECFSCHPECQPMEGTATCNGSGSDTCAQCAHFRDGPHCVSSCPHGVLGAKGPIYKYPDVQNECRPCHENCTQGCKGPELQDCLGQTLVLIGKTHHHHHH

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)

I: SER30 TYR31 TYR32 TYR33 GLY52 SER53 SER54 GLY55 GLY56 VAL57 THR58 VAL99 GLY100 LEU101 GLY102 ASP103

M: SER23 GLY24 SER25 LEU26 LEU31 ASN32 TYR33 ARG51 LYS67 THR70 TRP92 ASP94

B: HIS273 MET291 GLU292 ASP294 PRO309 LYS310 ALA311 GLU313 SER317 GLY318 LYS337 LEU339 GLU373 THR375 GLY401 ARG402 SER403 LEU404 ASN406 ARG407 GLY408 GLU429 SER431 ALA432 GLY433 ARG434 ARG456 GLY457 PRO458 ARG462

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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