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Entry information

Complex
AACDB_ID: 6793
PDBID: 4DN4
Chains: HL_M
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.80
Reference: 10.1016/j.molimm.2012.03.022
Antibody
Antibody: CNTO 888 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: CC chemokine ligand 2 (CCL2)
Antigen mutation: Yes
Durg Target: P13500

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>4DN4_H|Chain B[auth H]|CNTO888 HEAVY CHAIN|Homo sapiens (9606)
QVELVQSGAEVKKPGSSVKVSCKASGGTFSSYGISWVRQAPGQGLEWMGGIIPIFGTANYAQKFQGRVTITADESTSTAYMELSSLRSEDTAVYYCARYDGIYGELDFWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCHHHHHH

Light Chain: L
Mutation: NULL

>4DN4_L|Chain A[auth L]|CNTO888 LIGHT CHAIN|Homo sapiens (9606)
EIVLTQSPATLSLSPGERATLSCRASQSVSDAYLAWYQQKPGQAPRLLIYDASSRATGVPARFSGSGSGTDFTLTISSLEPEDFAVYYCHQYIQLHSFTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: M
Mutation: P8A

>4DN4_M|Chain C[auth M]|C-C motif chemokine 2|HOMO SAPIENS (9606)
QPDAINAAVTCCYNFTNRKISVQRLASYRRITSSKCPKEAVIFKTIVAKEICADPKQKWVQDSMDHLDKQTQTPKT

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)

L: SER30 ASP31 TYR33 TYR50 ASP51 ILE93 LEU95

H: SER30 SER31 ILE52 ILE54 PHE55 ASP100 GLY101 ILE102 TYR103 GLU105

M: THR16 ARG18 LYS19 ILE20 SER21 VAL22 GLN23 ARG24 THR45 ILE46 VAL47 ALA48 LYS49 ILE51

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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