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PDBsum entry 1bog

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Complex (antibody/peptide) PDB id
1bog
Contents
Protein chains
214 a.a. *
213 a.a. *
11 a.a. *
Waters ×48
* Residue conservation analysis

References listed in PDB file
Key reference
Title Crystallographic analysis of anti-P24 (HIV-1) monoclonal antibody cross-Reactivity and polyspecificity.
Authors T.Keitel, A.Kramer, H.Wessner, C.Scholz, J.Schneider-Mergener, W.Höhne.
Ref. Cell, 1997, 91, 811-820. [DOI no: 10.1016/S0092-8674(00)80469-9]
PubMed id 9413990
Abstract
The X-ray crystal structures of an anti-p24 (HIV-1) monoclonal antibody Fab fragment alone and in complexes with the epitope peptide GATPQDLNTnL (n = norleucine), an epitope-homologous peptide GATPEDLNQKLAGN, as well as two unrelated peptides GLYEWGGARITNTD and efslkGpllqwrsG (D-peptide), are presented to a maximum resolution of 2.6 A. The latter three peptides were identified from screening synthetic combinatorial peptide libraries. Although all peptides bind to the same antigen combining site, the nonhomologous peptides adopt different binding conformations and also form their critical contacts with different antibody residues. Only small readjustments are observed within the framework of the Fab fragment upon binding.
Figure 1.
Figure 1. Difference Electron Density Map for the h-pep/CB4-1 ComplexThe difference electron density was computed with the 2.60 Å resolution structure amplitudes from the CB4-1/h-pep crystal and with refined model phases from CB4-1. Density is shown for >3σ.
Figure 2.
Figure 2. Superposition of Variable Domains and Overlay of Complexed Peptides(A) Variable domain superposition. Residues from conserved β regions of V[L] (4–6, 20–25, 33–38, 45–48, 63–65, 70–74, 86–89, 102–104) were superimposed to visualize the V[L]/V[H] rearrangements. The Cα framework atoms are oriented with V[L] at the left. Peptides are omitted. Uncomplexed CB4-1, black; complexed with e-pep, yellow; h-pep, red; u-pep, purple; d-pep, green.(B) Peptide overlay. Superposition of V[L] and V[H] domains was performed as described in Table 2. Only the peptides are displayed: e-pep, yellow; h-pep, red; u-pep, purple; d-pep, green (N terminus: right). For a general overview of the peptides in complex with CB4-1 Fab, see Figure 4 in [27].
The above figures are reprinted by permission from Cell Press: Cell (1997, 91, 811-820) copyright 1997.
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