ThermoPCD Database

1. Complex: Fab fragment of MEDI4893 mAb bound to monomeric Alpha-hemolysin from Staphylococcus aureus

CATH
Resolution: 2.56 Å
Species: H. sapiens, Staphylococcus aureus

2. Antigen: Alpha-hemolysin (α-toxin) from Staphylococcus aureus

structure length (residues): 293
mutations: No
Uniprot

3. Antibody: MEDI4893 mAb

Isotype/subclass: IgG1κ
Structure: Fab only

3.1 Heavy chain

structure length (residues): 225
mutations: No
disulfide bridges: 22-95, 149-205
CDR (residue numbering): 56, 100, 103-105.

3.2 Light chain

structure length (residues): 213
mutations: No
disulfide bridges: 23-88, 133-193
CDR (residue numbering): 32, 91, 93, 94.

RCSB PDB - 4U6V, Fab fragment of MEDI4893 mAb bound to monomeric Alpha-hemolysin from Staphylococcus aureus

MEDI4893 mAb bound to Alpha-hemolysin from Staphylococcus aureus (310K, 37°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MEDI4893 mAb bound to Alpha-hemolysin from Staphylococcus aureus (311K, 38°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MEDI4893 mAb bound to Alpha-hemolysin from Staphylococcus aureus (312K, 39°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MEDI4893 mAb bound to Alpha-hemolysin from Staphylococcus aureus (313K, 40°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

1. Complex: Staphylococcus aureus Surface Protein Clumping Factor A in Complex With Tefibazumab

CATH
Resolution: 2.4 Å
Species: H. sapiens, Staphylococcus aureus

2. Antigen: Staphylococcus aureus Surface Protein Clumping Factor A

structure length (residues): 329
mutations: 2
Uniprot

3. Antibody: Tefibazumab

Isotype/subclass: IgG1κ
Structure: Fab only

3.1 Heavy chain

structure length (residues): 222
mutations: No
disulfide bridges: 22-95, 148-204
CDR (residue numbering): 30, 31, 53, 54, 56, 58, 101, 104

3.2 Light chain

structure length (residues): 216
mutations: No
disulfide bridges: 23-94, 139-199
CDR (residue numbering): 27, 31,33, 34, 36, 38, 98-100

RCSB PDB - 5JQ6, Crystal Structure of the Staphylococcus aureus Surface Protein Clumping Factor A in Complex With Tefibazumab

Staphylococcus aureus Clumping Factor A in Complex With Tefibazumab (310K, 37°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Staphylococcus aureus Clumping Factor A in Complex With Tefibazumab (311K, 38°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Staphylococcus aureus Clumping Factor A in Complex With Tefibazumab (312K, 39°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Staphylococcus aureus Clumping Factor A in Complex With Tefibazumab (313K, 40°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

1. Complex: Enterotoxin type B from Staphylococcus aureus bound to mAb 3E2

CATH
Resolution: 3.1 Å
Species: Staphylococcus aureus, Mus musculus

2. Antigen: Enterotoxin type B (SEB, entB) from Staphylococcus aureus

structure length (residues): 239
mutations: No
Uniprot

3. Antibody: Monoclonal Antibody 3E2

Isotype/subclass: IgG2b
Structure: Fab only

3.1 Heavy chain

structure length (residues): 223
mutations: No
disulfide bridges: 22-96, 148-203
CDR (residue numbering): 69, 71, 75, 76, 117, 122, 124,

3.2 Light chain

structure length (residues): 215
mutations: No
disulfide bridges: 23-89, 135-195
CDR (residue numbering): 114, 115, 119

RCSB PDB - 3W2D - Enterotoxin type B from Staphylococcus aureus in complex with mAb 3E2

Enterotoxin type B from Staphylococcus aureus in complex with mAb 3E2 (310K, 37°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Enterotoxin type B from Staphylococcus aureus in complex with mAb 3E2 (311K, 38°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Enterotoxin type B from Staphylococcus aureus in complex with mAb 3E2 (312K, 39°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Enterotoxin type B from Staphylococcus aureus in complex with mAb 3E2 (313K, 40°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

1. Complex: Leukocidin-like protein 2 from Staphylococcus aureus bound to neutralizing antibody H1H2

CATH
Resolution: 2.8 Å
Species: Staphylococcus aureus

2. Antigen: Leukocidin-like protein 2 (LukGH)

structure length (residues): 319
mutations: No
Uniprot

3. Antibody: neutralizing antibody H1H2

Isotype/subclass: IgG1
Structure: Fab only

3.1 Heavy chain

structure length (residues): 227
mutations: No
disulfide bridges: 22-97, 146-202
CDR (residue numbering): 33, 35, 52, 54, 56, 58-60, 100-104

3.2 Light chain

structure length (residues): 214
mutations: No
disulfide bridges: 23-88, 134-194
CDR (residue numbering): 30, 32, 50, 91, 92, 94, 96

RCSB PDB - 5K59 - Leukocidin-like protein 2 from Staphylococcus aureus bound to neutralizing antibody H1H2

Leukocidin-like protein 2 from Staphylococcus aureus bound to mAb H1H2 (310K, 37°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Leukocidin-like protein 2 from Staphylococcus aureus bound to mAb H1H2 (311K, 38°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Leukocidin-like protein 2 from Staphylococcus aureus bound to mAb H1H2 (312K, 39°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

Leukocidin-like protein 2 from Staphylococcus aureus bound to mAb H1H2 (313K, 40°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

1. Complex: Staphylococcal Enterotoxin B bound to neutralizing mAb 14G8 and 6D3

CATH
Resolution: 2.7 Å
Species: Staphylococcus aureus

2. Antigen: Staphylococcal Enterotoxin B

structure length (residues): 245
mutations: No
Uniprot

3. Antibody: mAb 14G8

Isotype/subclass: IgG1
Structure: Fab only

3.1 Heavy chain

structure length (residues): 222
mutations: No
disulfide bridges: 22-95, 147-202
CDR (residue numbering): 28, 30-32, 52, 56, 58, 100-104, 106

3.2 Light chain

structure length (residues): 214
mutations: No
disulfide bridges: 23-88, 134-194
CDR (residue numbering): 31, 32, 50, 53, 92, 94

4. Antibody: mAb 6D3

Isotype/subclass: IgG1
Structure: Fab only

4.1 Heavy chain

structure length (residues):
mutations: No
disulfide bridges: 22-96, 146-201
CDR (residue numbering): 10, 32, 33, 50, 52, 55, 57-59, 99, 102-104

4.2 Light chain

structure length (residues):
mutations: No
disulfide bridges: 23-94, 140-200
CDR (residue numbering): 27, 31, 97-100, 102

RCSB PDB - 4RGN - Staphylococcal Enterotoxin B bound to neutralizing mAb 14G8 and 6D3

Staphylococcal Enterotoxin B bound to neutralizing mAb 6D3 (310K, 37°C, 500 ns) >> RMSD, RMSF, SASA, Rg, H-bonds

Staphylococcal Enterotoxin B bound to neutralizing mAb 6D3 (312K, 39°C, 500 ns) >> RMSD, RMSF, SASA, Rg, H-bonds

Staphylococcal Enterotoxin B bound to neutralizing mAb 14G8 (310K, 37°C, 500 ns) >> RMSD, RMSF, SASA, Rg, H-bonds

Staphylococcal Enterotoxin B bound to neutralizing mAb 14G8 (312K, 39°C, 500 ns) >> RMSD, RMSF, SASA, Rg, H-bonds

1. Complex: MntC in complex with with neutralizing mAB 305-78-7

CATH
Resolution: 1.8 Å
Species: Staphylococcus aureus

2. Antigen: Manganese transporter protein, MntC

structure length (residues): 292
mutations: No
Uniprot

3. Antibody: mAb 305-78-7

Isotype/subclass: IgG1
Structure: Fab only

3.1 Heavy chain

structure length (residues): 220
mutations: No
disulfide bridges: 22-96, 147-202
CDR (residue numbering): 27, 50, 52-54, 56-58, 97, 99, 100

3.2 Light chain

structure length (residues): 220
mutations: No
disulfide bridges: 23-94, 140-200
CDR (residue numbering): 27, 32, 92-94

RCSB PDB - 5HDQ - ABC transporter substrate-binding protein from S. aureus in complex with neutralizing mAb 305-78-7

MntC in complex with with neutralizing mAB 305-78-7 (310K, 37°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MntC in complex with with neutralizing mAB 305-78-7 (311K, 38°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MntC in complex with with neutralizing mAB 305-78-7 (312K, 39°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

MntC in complex with with neutralizing mAB 305-78-7 (313K, 40°C, 100 ns) >> RMSD, SASA, RMSF, Rg, H-bonds

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