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Entry information

Complex
AACDB_ID: 7444
PDBID: 6FEQ
Chains: FE_A
Organism: Homo sapiens, Mus musculus
Method: EM
Resolution (Å): 3.60
Reference: 10.1038/s41594-018-0049-1
Antibody
Antibody: 5D3 Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: ATP-binding cassette sub-family G member 2 (ABCG2)
Antigen mutation: No
Durg Target: Q9UNQ0; Q9UNQ0;

Sequence information

Antibody

Heavy Chain: F
Mutation: NULL

>6FEQ_F|Chain D, F|5D3(Fab) heavy chain variable domain|Mus musculus (10090)
QVQLQESGPGLVKPSQSLSLTCTVTGFSITSDYAWNWIRQFPGKKLEWMGYINFDGGTTYNPSLRGRISITRDTSKNQFFLQLRSVTPEDTATYYCATFYGAKGTLDYWGQGTSVTVSSAKTTPPSVYPLAPVCGDTSGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPRGP

Light Chain: E
Mutation: NULL

>6FEQ_E|Chain C, E|5D3(Fab) light chain variable domain|Mus musculus (10090)
DIVLTQSPSSFSVSLGDRVTISCKASGYILNRLAWYQQKPGNAPRLLISGATSLETGFPSRFSGTGSGKDYTLSISSLQTEDVGTYYCQQYWSTPWTFGGGTKLEIRRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Antigen

Chain: A
Mutation: NULL

>6FEQ_A|Chain A, B|ATP-binding cassette sub-family G member 2|Homo sapiens (9606)
MSSSNVEVFIPVSQGNTNGFPATASNDLKAFTEGAVLSFHNICYRVKLKSGFLPCRKPVEKEILSNINGIMKPGLNAILGPTGGGKSSLLDVLAARKDPSGLSGDVLINGAPRPANFKCNSGYVVQDDVVMGTLTVRENLQFSAALRLATTMTNHEKNERINRVIQELGLDKVADSKVGTQFIRGVSGGERKRTSIGMELITDPSILFLDEPTTGLDSSTANAVLLLLKRMSKQGRTIIFSIHQPRYSIFKLFDSLTLLASGRLMFHGPAQEALGYFESAGYHCEAYNNPADFFLDIINGDSTAVALNREEDFKATEIIEPSKQDKPLIEKLAEIYVNSSFYKETKAELHQLSGGEKKKKITVFKEISYTTSFCHQLRWVSKRSFKNLLGNPQASIAQIIVTVVLGLVIGAIYFGLKNDSTGIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS

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)

E: TYR28 LEU30 ASN31 ARG32 GLY50 THR52 SER53 TYR91 TRP92

F: PHE99 GLY101 ALA102 LYS103 GLY104

A: ALA597 THR598 GLY599 ASN600 ASN601 CYS603 ASN604 TYR605 ALA606 THR607 GLU611 GLU612 VAL615 LYS616 ILE619 ASP620 LEU621 SER622

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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