Details
Structure visualisation
Entry information
| Complex | |
| AACDB_ID: | 4432 |
| PDBID: | 7NCS |
| Chains: | HL_A |
| Organism: | Escherichia coli K-12, Homo sapiens |
| Method: | EM |
| Resolution (Å): | 7.10 |
| Reference: | 10.1038/s41467-021-24432-x |
| Antibody | |
| Antibody: | bactericidal-Fab1 Fab |
| Antibody mutation: | No |
| INN (Clinical Trial): | |
| Antigen | |
| Antigen: | Outer membrane protein assembly factor BamA |
| Antigen mutation: | Yes |
| Durg Target: | |
Sequence information
Antibody
Heavy Chain: H
Mutation: NULL
| >7NCS_H|Chain F[auth H]|Fab1 heavy chain|Homo sapiens (9606) EVQLVESGGGLVQPGRSLKLSCVASRFTFSNYGMNWIRQTPGKGLEWVAYIGSTSSHIYYAETVKGRFTISRDNAKNTLYLQMTGLRSEDTALYYCVGHVRKLGAFFDYWGQGAMVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCDKTHT |
Light Chain: L
Mutation: NULL
| >7NCS_L|Chain G[auth L]|Fab1 light chain|Homo sapiens (9606) DIQMTQSPASLSASLGETVTIECRASEDIHSRLAWYQQKPGKSPQLLIYNANSLHTGVPSRFSGSGSGTQFSLKINSLQSEDVASYFCLQYYNYPPYTFGAGAKLELRRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC |
Antigen
Chain: A
Mutation: E435C/S665C/C690S/C700S
| >7NCS_A|Chain A|Outer membrane protein assembly factor BamA|Escherichia coli K-12 (83333) MAMKKLLIASLLFSSATVYGAEGFVVKDIHFEGLQRVAVGAALLSMPVRTGDTVNDEDISNTIRALFATGNFEDVRVLRDGDTLLVQVKERPTIASITFSGNKSVKDDMLKQNLEASGVRVGESLDRTTIADIEKGLEDFYYSVGKYSASVKAVVTPLPRNRVDLKLVFQEGVSAEIQQINIVGNHAFTTDELISHFQLRDEVPWWNVVGDRKYQKQKLAGDLETLRSYYLDRGYARFNIDSTQVSLTPDKKGIYVTVNITEGDQYKLSGVEVSGNLAGHSAEIEQLTKIEPGELYNGTKVTKMEDDIKKLLGRYGYAYPRVQSMPEINDADKTVKLRVNVDAGNRFYVRKIRFEGNDTSKDAVLRREMRQMEGAWLGSDLVDQGKERLNRLGFFETVDTDTQRVPGSPDQVDVVYKVKERNTGSFNFGIGYGTCSGVSFQAGVQQDNWLGTGYAVGINGTKNDYQTYAELSVTNPYFTVDGVSLGGRLFYNDFQADDADLSDYTNKSYGTDVTLGFPINEYNSLRAGLGYVHNSLSNMQPQVAMWRYLYSMGEHPSTSDQDNSFKTDDFTFNYGWTYNKLDRGYFPTDGSRVNLTGKVTIPGSDNEYYKVTLDTATYVPIDDDHKWVVLGRTRWGYGDGLGGKEMPFYENFYAGGSSTVRGFQCNTIGPKAVYFPHQASNYDPDYDYESATQDGAKDLSKSDDAVGGNAMAVASLEFITPTPFISDKYANSVRTSFFWDMGTVWDTNWDSSQYSGYPDYSDPSNIRMSAGIALQWMSPLGPLVFSYAQPFKKYDGDKAEQFQFNIGKTW |
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: THR28 ASN31 TYR32 GLY33 TYR50 GLY52 SER53 THR54 SER56 HIS57 TYR59 HIS99 VAL100 ARG101 LYS102 LEU103 GLY104 ALA105 L: HIS30 SER31 ARG32 ASN50 ASN52 TYR92 ASN93 TYR94 PRO95 TYR97 A: TYR550 SER551 MET552 GLY553 GLU554 HIS555 PRO556 SER557 THR558 ASP560 ASP562 ASN563 SER564 PHE565 GLY643 LYS644 GLU645 PHE675 GLN753 TYR754 |
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)
