Complex | |
AACDB_ID: | 4285 |
PDBID: | 7MDU |
Chains: | HL_A |
Organism: | Macaca mulatta, Human immunodeficiency virus 1 |
Method: | EM |
Resolution (Å): | 3.30 |
Reference: | 10.1126/sciadv.abk2039 |
Antibody | |
Antibody: | Rh.33104 Fab |
Antibody mutation: | No |
INN (Clinical Trial): | |
Antigen | |
Antigen: | HIV-1 BG505 SOSIP MD39 envelope glycoprotein - gp120 |
Antigen mutation: | No |
Durg Target: | P00750; P00750; |
Antibody
Heavy Chain: H
Mutation: NULL
>7MDU_H|Chain A[auth H]|Rh.33104 mAb.1 Heavy Chain|Macaca mulatta (9544) QVQLQESGPGLVKPSETLSLTCAVSGGSFSGYSWGWIRQPPGKGLEWIGSIIGRTGSTAYNPSLTSRVTISRDTSNNQFSLKLTSLTAADTAVYYCARQQSNFDFWGQGVLVTVSS |
Light Chain: L
Mutation: NULL
>7MDU_L|Chain E[auth L]|Rh.33104 mAb.1 Light Chain|Macaca mulatta (9544) DIQMTQSPSSLSASVGDTVTTTCRASQDISNDLAWYQQKPGKAPKPLLYYASNLESGVPSMFSGSGSGTDFTLTISSLQPEDFASYFCQQYNSYPRTFGQGTKVEF |
Antigen
Chain: A
Mutation: NULL
>7MDU_A|Chain B[auth A]|Surface protein gp120|Human immunodeficiency virus 1 (11676) MKRGLCCVLLLCGAVFVSPSQEIHARFRRGARAENLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLQCTNVTNNITDDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSAITQACPKVSFEPIPIHYCAPAGFAILKCKDKKFNGTGPCPSVSTVQCTHGIKPVVSTQLLLNGSLAEEEVIIRSENITNNAKNILVQLNTPVQINCTRPNNNTVKSIRIGPGQAFYYTGDIIGDIRQAHCNVSKATWNETLGKVVKQLRKHFGNNTIIRFAQSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQAMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR |
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: GLN1 SER28 SER30 GLY31 TYR32 SER33 ARG53 THR54 SER56 GLN95 GLN96 SER97 ASN98 ASP101 L: SER30 ASN31 ASP32 TYR49 TYR50 SER52 ASN53 LEU54 GLU55 SER56 GLY57 VAL58 SER63 GLY64 TYR91 TYR94 ARG96 A: LYS231 LYS232 LEU265 ALA266 GLU267 GLU268 GLU269 ASN289 THR290 PRO291 GLU340 GLY343 LYS344 LYS347 GLN348 ARG350 LYS351 GLY354 ASN355 ASN356 SER397 ASN398 THR399 SER400 |
2、We defined interacting paratope-epitope residues by a distance cutoff of < 6 Å . Two amino acids are considered as interacting residues if they have at least one atom within a distance of 6 Å from any atom.
Interacting residues (Atom distance based)