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Entry information

Complex
AACDB_ID: 5703
PDBID: 7YZI
Chains: E_A
Organism: Mycobacterium tuberculosis '98-R604 INH-RIF-EM, Vicugna pacos
Method: EM
Resolution (Å): 3.83
Reference: 10.7554/eLife.77032
Antibody
Antibody: NB4 Nanobody
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Mycobacterium tuberculosis adenylyl cyclase Rv1625c / Cya
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Chain: E
Mutation: NULL

>7YZI_E|Chain C, D, E|Nanobody Nb4|Vicugna pacos (30538)
MAQWQLVESGGGLVQAGGSLRLSCTASGIILSINSMGWYRQTAGNEREWVAFSTAGGSTTYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCNTPAGRVGGTWGQGTPVTVSSHHHHHHEPEA

Antigen

Chain: A
Mutation: NULL

>7YZI_A|Chain A, B|Adenylate cyclase|Mycobacterium tuberculosis '98-R604 INH-RIF-EM' (555461)
MGSAWSHPQFEKGSGLEVLFQGPSGHMAARKCGAPPIAADGSTRRPDCVTAVRTQARAPTQHYAESVARRQRVLTITAWLAVVVTGSFALMQLATGAGGWYIALINVFTAVTFAIVPLLHRFGGLVAPLTFIGTAYVAIFAIGWDVGTDAGAQFFFLVAAALVVLLVGIEHTALAVGLAAVAAGLVIALEFLVPPDTGLQPPWAMSVSFVLTTVSACGVAVATVWFALRDTARAEAVMEAEHDRSEALLANMLPASIAERLKEPERNIIADKYDEASVLFADIVGFTERASSTAPADLVRFLDRLYSAFDELVDQHGLEKIKVSGDSYMVVSGVPRPRPDHTQALADFALDMTNVAAQLKDPRGNPVPLRVGLATGPVVAGVVGSRRFFYDVWGDAVNVASRMESTDSVGQIQVPDEVYERLKDDFVLRERGHINVKGKGVMRTWYLIGRKVAADPGEVRGAEPRTAGVAAA

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

E: SER38 TYR42 GLU49 ARG50 TRP52 PHE55 THR57 THR63 PRO103 ALA104 ARG106 VAL107 GLY108 TRP111

A: THR122 ASP123 PRO168 PRO169 ASP170 THR171 GLY172 LEU173 GLN174 PRO175 PRO176 TRP177 MET179 SER180 PHE183

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)

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