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Entry information

Complex
AACDB_ID: 2082
PDBID: 6BP2
Chains: HL_A
Organism: Orthomarburgvirus marburgense, Homo sapiens
Method: XRD
Resolution (Å): 3.17
Reference: 10.1016/j.chom.2017.12.003
Antibody
Antibody: MR191 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: marburgvirus glycoprotein
Antigen mutation: Yes
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>6BP2_H|Chain C[auth H]|MR191 Fab Heavy Chain|Homo sapiens (9606)
QLQLQESGPGLVKPSETLSLSCTVSGVSISDNSYYWGWIRQPPGKGLEWIGTISYSGNTYYNPSLKSRVSISGDTSKHQLSLKVSSVTAADTAVYYCARQRIVSGFVEWLSKFDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSC

Light Chain: L
Mutation: NULL

>6BP2_L|Chain D[auth L]|MR191 Fab Light Chain|Homo sapiens (9606)
QSVLTQPPSVSGAPGQRVTISCTGSSSNIGAGFDVHWYQQLPGTAPKLLIYDNNNRPSGVPDRFSGSKSGTSASLAITGLQAEDEADYYCQSYDTSLSGPVVFGGGTKLTVLQPKAAPSVTLFPPSSEELQANKATLVCLISDFYPGAVTVAWKADSSPIKAGVETTTPSKQSNNKYAASSYLSLTPEQWKSHRSYSCQVTHEGSTVEKTVAPTECS

Antigen

Chain: A
Mutation: M241R/N242P

>6BP2_A|Chain A|Envelope glycoprotein|Marburg marburgvirus (3052505)
KTLPVLEIASNSQPQDVDSVCSGTLQKTEDVHLMGFTLSGQKVADSPLEASKRWAFRTGVPPKNVEYTEGEEAKTCYNISVTDPSGKSLLLDPPSNIRDYPKCKTVHHIQGQNPHAQGIALHLWGAFFLYDRVASTTMYRGKVFTEGNIAAMIVNKTVHRMIFSRQGQGYRHMNLTSTNKYWTSSNETQRNDTGCFGILQEYNSTNNQTCPPSLKPPSLPTVTPSIHSTNTQINTAKSGTRPPIYFRKKR

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)

H: TYR35 SER54 TYR55 SER56 GLY57 ASN58 THR59 TYR60 LYS66 SER104 GLY105 PHE106 VAL107 GLU108 TRP109

L: SER26 SER27 GLY30 ALA31 GLY32 PHE33 TYR93 ASP94 THR95 SER96 LEU97 PRO100

A: SER62 PRO63 LEU64 SER67 TRP70 PHE72 ILE95 VAL97 THR98 PRO100 SER101 GLY102 THR121 VAL122 HIS123 HIS124 ILE125 GLN126 GLY127 GLN128 ASN129 PRO130 HIS131 MET154

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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