Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 6761 |
| PDBID: | 3ZKM |
| Chains: | HL_A |
| Organism: | Homo sapiens, Mus musculus |
| Method: | XRD |
| Resolution (Å): | 1.85 |
| Reference: | 10.1107/S0907444913006574 |
| Antibody | |
| Antibody: | BACE2-binding Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | β-secretase 2 (BACE2) |
| Antigen mutation: | No |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >3ZKM_H|Chain C, E[auth H]|FAB HEAVY CHAIN|HOMO SAPIENS (9606) QVQLKESGPVLVAPSQSLFISCTVSGFSLTRYGVHWVRQSPGKGLEWLGVIWAGGTTNYNSAFMSRLTISKDNSKSQVFLKMNSLQTDDTAIYYCVKAYRNAMDYWGQGTSVTVSSAKTTAPSVYPLAPVCGDTSGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGPTIK |
Light Chain: L
Mutation: NULL
| >3ZKM_L|Chain D, F[auth L]|FAB LIGHT CHAIN|MUS MUSCULUS (10090) NIVLSQSPGSLAVSLGQRATISCRASKSVDTYGHSFIHWYQQKPGQPPNLLIHLASNLESGVPARFSGRGSGTDFTLTIDPVEADDAATYYCQQNNEDPWTFGGGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC |
Antigen
Chain: A
Mutation: NULL
| >3ZKM_A|Chain A, B|BETA-SECRETASE 2|HOMO SAPIENS (9606) ANFLAMVDNLQGDSGRGYYLEMLIGTPPQKLQILVDTGSSNFAVAGTPHSYIDTYFDTERSSTYRSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNTSFLVNIATIFESENFFLPGIKWNGILGLAYATLAKPSSSLETFFDSLVTQANIPNVFSMQMCGAGLPVAGSGTNGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQSLNLDCREYNADKAIVDSGTTLLRLPQKVFDAVVEAVARASLIPEFSDGFWTGSQLACWTNSETPWSYFPKISIYLRDENSSRSFRITILPQLYIQPMMGAGLNYECYRFGISPSTNALVIGATVMEGFYVIFDRAQKRVGFAASPCAEIAGAAVSEISGPFSTEDVASNCVPA |
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 H: ARG31 TYR32 TRP47 VAL50 TRP52 ALA53 GLY54 THR56 ASN58 TYR59 ALA98 ARG100 ASN101 L: ASP30 THR31 TYR32 GLY33 HIS34 PHE36 LEU54 SER56 ASN57 GLY68 ARG69 GLY70 SER71 ASN95 ASN96 GLU97 ASP98 TRP100 A: GLN251 PHE254 ASP255 VAL258 GLU259 VAL261 ALA262 ARG263 SER265 LEU266 ILE267 PRO268 GLU269 PHE270 SER271 ASP272 GLY273 PHE274 TRP275 THR276 GLY277 SER278 LEU280 ALA281 PRO289 PHE293 ILE319 TYR332 ARG333 PHE334 |
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)
