Calcium in PDB 5u3k: Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide

The structure of Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide, PDB code: 5u3k was solved by G.Ofek, L.Wu, C.S.Lougheed, L.D.Williams, N.I.Nicely, B.F.Haynes, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.76 / 2.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	109.396, 75.756, 122.630, 90.00, 94.29, 90.00
R / Rfree (%)	23.2 / 28.3

The structure of Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide (pdb code 5u3k). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide, PDB code: 5u3k:

Calcium binding site 1 out of 1 in the Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of DH511.2 Fab in Complex with Hiv-1 GP41 Mper 662- 683 Peptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Ca301 b:36.1 occ:1.00 O H:ASP73 2.4 56.0 1.0 OD1 H:ASN76 2.6 45.2 1.0 OD1 H:ASP30 2.7 44.1 1.0 OD2 H:ASP30 3.1 43.9 1.0 CG H:ASP30 3.2 43.0 1.0 HD21 H:ASN76 3.5 54.8 1.0 C H:ASP73 3.6 54.6 1.0 CG H:ASN76 3.6 44.9 1.0 HB3 H:ASP73 3.9 66.0 1.0 HA H:SER74 3.9 66.8 1.0 ND2 H:ASN76 4.0 45.8 1.0 HB3 H:PHE29 4.1 53.5 1.0 HA H:ASP73 4.2 65.6 1.0 HD2 H:PHE29 4.3 52.2 1.0 H H:ASP30 4.4 52.8 1.0 HE1 H:PHE28 4.4 78.4 1.0 CA H:ASP73 4.4 54.6 1.0 N H:SER74 4.5 51.3 1.0 CA H:SER74 4.6 55.6 1.0 CB H:ASP73 4.6 55.0 1.0 H H:ASN76 4.7 53.5 1.0 CB H:ASP30 4.7 41.1 1.0 O H:SER74 4.8 53.4 1.0 C H:SER74 4.8 54.7 1.0 HD22 H:ASN76 4.8 54.8 1.0 HA H:ASN76 4.8 50.8 1.0 N H:ASP30 5.0 44.0 1.0 CB H:ASN76 5.0 43.8 1.0 HB2 H:ASP30 5.0 49.3 1.0

L.D.Williams, G.Ofek, S.Schatzle, J.R.Mcdaniel, X.Lu, N.I.Nicely, L.Wu, C.S.Lougheed, T.Bradley, M.K.Louder, K.Mckee, R.T.Bailer, S.O'dell, I.S.Georgiev, M.S.Seaman, R.J.Parks, D.J.Marshall, K.Anasti, G.Yang, X.Nie, N.L.Tumba, K.Wiehe, K.Wagh, B.Korber, T.B.Kepler, S.Munir Alam, L.Morris, G.Kamanga, M.S.Cohen, M.Bonsignori, S.M.Xia, D.C.Montefiori, G.Kelsoe, F.Gao, J.R.Mascola, M.A.Moody, K.O.Saunders, H.X.Liao, G.D.Tomaras, G.Georgiou, B.F.Haynes. Potent and Broad Hiv-Neutralizing Antibodies in Memory B Cells and Plasma. Sci Immunol V. 2 2017.
ISSN: ESSN 2470-9468
PubMed: 28783671
DOI: 10.1126/SCIIMMUNOL.AAL2200