3RPT

Crystal structure of the anti-HIV b12 scaffold protein

Summary for 3RPT

• Entry DOI: 10.2210/pdb3rpt/pdb
• Descriptor: Endoglucanase E-2, SULFATE ION (3 entities in total)
• Functional Keywords: scaffold protein anti-hiv, hydrolase
• Biological source: Thermobifida fusca; More
• Total number of polymer chains: 2
• Total formula weight: 59747.73

Authors

Chen, L.,Kwong, P.D. (deposition date: 2011-04-27, release date: 2011-12-21, Last modification date: 2017-07-26)

Primary citation

Azoitei, M.L.,Correia, B.E.,Ban, Y.E.,Carrico, C.,Kalyuzhniy, O.,Chen, L.,Schroeter, A.,Huang, P.S.,McLellan, J.S.,Kwong, P.D.,Baker, D.,Strong, R.K.,Schief, W.R.
Computation-guided backbone grafting of a discontinuous motif onto a protein scaffold.
Science, 334:373-376, 2011

PubMed Abstract: The manipulation of protein backbone structure to control interaction and function is a challenge for protein engineering. We integrated computational design with experimental selection for grafting the backbone and side chains of a two-segment HIV gp120 epitope, targeted by the cross-neutralizing antibody b12, onto an unrelated scaffold protein. The final scaffolds bound b12 with high specificity and with affinity similar to that of gp120, and crystallographic analysis of a scaffold bound to b12 revealed high structural mimicry of the gp120-b12 complex structure. The method can be generalized to design other functional proteins through backbone grafting.

PubMed: 22021856
DOI: 10.1126/science.1209368

Experimental method

X-RAY DIFFRACTION (1.303 Å)