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Entry information

Complex
AACDB_ID: 625
PDBID: 3Q1S
Chains: HL_I
Organism: Homo sapiens
Method: XRD
Resolution (Å): 2.15
Reference: 10.1016/j.jmb.2011.10.014
Antibody
Antibody: Z13e1 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Interleukin-22
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>3Q1S_H|Chain B[auth H]|Z13e1 Fab heavy chain|Homo sapiens (9606)
EVQLLESGPGLLKPSETLSLTCTVSGGSMINYYWSWIRQPPGERPQWLGHIIYGGTTKYNPSLESRITISRDISKNQFSLRLNSVTAADTAIYYCARVAIGVSGFLNYYYYMDVWGSGTAVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDK

Light Chain: L
Mutation: NULL

>3Q1S_L|Chain A[auth L]|Z13e1 Fab light chain|Homo sapiens (9606)
ELTQSPATLSLSPGERATLSCRASQSVGRNLGWYQQKPGQAPRLLIYDASNRATGIPARFSGSGSGTDFTLTISSLEPEDFAVYYCQARLLLPQTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC

Antigen

Chain: I
Mutation: S36W/L37N/A38WN40D/N41I

>3Q1S_I|Chain C[auth I]|Interleukin-22|Homo sapiens (9606)
QGGAAAPISSHCRLDKSNFQQPYITNRTFMLAKEAWNWDDITDVRLIGEKLFHGVSMSERCYLMKQVLNFTLEEVLFPQSDRFQPYMQEVVPFLARLSNRLSTCHIEGDDLHIQRNVQKLKDTVKKLGESGEIKAIGELDLLFMSLRNACI

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

L: LEU92

H: ILE30 ASN31 TYR32 TYR33 HIS50 ILE52 TYR53 GLY54 THR56 LYS58 ILE100 GLY101 VAL102 PHE105 LEU106 ASN107 TYR108 TYR110

I: LYS61 GLU62 TRP64 ASN65 TRP66 ASP67 ASP68 ILE69 THR70 ASP71 ARG73 ILE75 GLY76 GLU77 PHE80 ARG88 LEU169 MET172 SER173

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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