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Entry information

Complex
AACDB_ID: 7114
PDBID: 5GUX
Chains: HL_B
Organism: Mus musculus, Pseudomonas aeruginosa PAO1
Method: XRD
Resolution (Å): 3.30
Reference: 10.1073/pnas.1621301114
Antibody
Antibody: 5GUX Fab
Antibody mutation: No
INN (Clinical Trial):
Antigen
Antigen: Nitric oxide reductase subunit B
Antigen mutation: No
Durg Target:

Sequence information

Antibody

Heavy Chain: H
Mutation: NULL

>5GUX_H|Chain B[auth H]|Antibody fab fragment heavy chain|Mus musculus (10090)
EVQLQQSGTVLARPGASVKMSCKASGYSFTSYWMHWVKQRPGQGLEWIGAVYPGNSDTSYNQKFKGKAKLTAVTSASTAYMELSSLTNEDSAVYYCSRSSLDGYYVKNWCFDVWGQGTTVTVSSAKTTAPSVYPLAPVCGDTTGSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTRPSQSITCNVAHPASSTKVDKKIEPRG

Light Chain: L
Mutation: NULL

>5GUX_L|Chain A[auth L]|Antibody fab fragment light chain|Mus musculus (10090)
DIQMTQSPPYLAASPGETITINCRASKSIRKYLAWYQEKPGKTNKLLIYSGSTLQFGIPSRFSGSGSGTEFTLTISSLEPEDFAMYYCQQHNEYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNE

Antigen

Chain: B
Mutation: NULL

>5GUX_B|Chain C[auth B]|Nitric oxide reductase subunit B|Pseudomonas aeruginosa PAO1 (208964)
MMSPNGSLKFASQAVAKPYFVFALILFVGQILFGLIMGLQYVVGDFLFPAIPFNVARMVHTNLLIVWLLFGFMGAAYYLVPEESDCELYSPKLAWILFWVFAAAGVLTILGYLLVPYAGLARLTGNELWPTMGREFLEQPTISKAGIVIVALGFLFNVGMTVLRGRKTAISMVLMTGLIGLALLFLFSFYNPENLTRDKFYWWWVVHLWVEGVWELIMGAILAFVLVKITGVDREVIEKWLYVIIAMALISGIIGTGHHYFWIGVPGYWLWLGSVFSALEPLPFFAMVLFAFNTINRRRRDYPNRAVALWAMGTTVMAFLGAGVWGFMHTLAPVNYYTHGTQLTAAHGHMAFYGAYAMIVMTIISYAMPRLRGIGEAMDNRSQVLEMWGFWLMTVAMVFITLFLSAAGVLQVWLQRMPADGAAMTFMATQDQLAIFYWLREGAGVVFLIGLVAYLLSFRRGKAAA

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: TYR27 SER28 PHE29 THR30 SER31 TYR32 TYR52 GLY54 ASN55 THR74 SER77 ASP102 GLY103 TYR104 TYR105

B: LEU414 GLY421 ALA422 ALA423 MET424 THR425 MET427 ALA428 ASP431 GLN432 ALA434

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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