Cadmium in PDB 2a38: Crystal Structure of the N-Terminus of Titin

All present enzymatic activity of Crystal Structure of the N-Terminus of Titin:
2.7.11.1;

The structure of Crystal Structure of the N-Terminus of Titin, PDB code: 2a38 was solved by M.Marino, C.Muhle-Goll, D.Svergun, M.Demirel, O.Mayans, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	55.406, 56.294, 74.414, 71.96, 88.49, 75.41
R / Rfree (%)	20.9 / 25.5

The binding sites of Cadmium atom in the Crystal Structure of the N-Terminus of Titin (pdb code 2a38). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Crystal Structure of the N-Terminus of Titin, PDB code: 2a38:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the Crystal Structure of the N-Terminus of Titin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of the N-Terminus of Titin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd501 b:50.5 occ:1.00 OE2 A:GLU26 2.2 30.9 1.0 O A:HOH524 2.3 27.0 1.0 NE2 A:HIS28 2.4 26.9 1.0 O A:HOH573 2.9 31.8 1.0 CD A:GLU26 3.1 33.6 1.0 CD2 A:HIS28 3.3 23.8 1.0 O A:HOH641 3.4 46.8 1.0 OE1 A:GLU26 3.4 37.2 1.0 CE1 A:HIS28 3.4 26.1 1.0 NE A:ARG62 4.1 46.0 1.0 NH2 A:ARG62 4.5 49.9 1.0 CG A:GLU26 4.5 30.5 1.0 ND1 A:HIS28 4.5 26.7 1.0 CG A:HIS28 4.5 25.1 1.0 CZ A:ARG62 4.6 48.8 1.0 CG A:ARG62 4.8 33.9 1.0 CD A:ARG62 4.9 39.9 1.0

Cadmium binding site 2 out of 3 in the Crystal Structure of the N-Terminus of Titin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of the N-Terminus of Titin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cd502 b:29.2 occ:1.00 NE2 B:HIS28 2.2 23.3 1.0 OE2 B:GLU26 2.2 36.5 1.0 OE1 B:GLU155 2.3 45.4 1.0 OE2 B:GLU155 2.8 43.7 1.0 CD B:GLU155 2.9 43.1 1.0 CE1 B:HIS28 3.1 24.4 1.0 CD B:GLU26 3.1 36.3 1.0 CD2 B:HIS28 3.3 18.9 1.0 O B:HOH576 3.4 38.0 1.0 OE1 B:GLU26 3.7 39.7 1.0 OE1 B:GLN10 4.1 32.0 1.0 NE B:ARG62 4.2 35.4 1.0 ND1 B:HIS28 4.2 21.3 1.0 NH2 B:ARG62 4.2 38.3 1.0 CG B:GLU26 4.2 30.7 1.0 CG B:HIS28 4.3 18.4 1.0 CZ B:ARG62 4.4 36.1 1.0 CG B:GLU155 4.5 41.9 1.0 O B:HOH574 4.5 40.1 1.0 O B:GLN154 4.8 25.9 1.0 CD B:GLN10 4.9 30.9 1.0 O B:HOH593 4.9 37.0 1.0

Cadmium binding site 3 out of 3 in the Crystal Structure of the N-Terminus of Titin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of the N-Terminus of Titin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cd503 b:31.9 occ:1.00 OE2 A:GLU165 2.3 32.4 1.0 NE2 C:HIS28 2.4 23.9 1.0 OE1 A:GLU165 2.4 27.1 1.0 OE1 C:GLU26 2.5 37.3 1.0 OE1 C:GLU155 2.5 45.4 1.0 OE2 C:GLU26 2.6 38.5 1.0 CD A:GLU165 2.6 28.7 1.0 CD C:GLU26 2.8 35.4 1.0 OE2 C:GLU155 3.0 43.4 1.0 CD C:GLU155 3.2 43.6 1.0 CE1 C:HIS28 3.2 22.8 1.0 O C:HOH641 3.3 42.1 1.0 CD2 C:HIS28 3.4 21.3 1.0 O C:HOH619 3.9 41.5 1.0 OE1 C:GLN10 4.0 38.3 1.0 NE C:ARG62 4.0 42.2 1.0 CG A:GLU165 4.1 26.5 1.0 CG C:GLU26 4.2 31.6 1.0 ND1 C:HIS28 4.4 22.0 1.0 CG C:HIS28 4.5 19.7 1.0 CZ C:ARG62 4.5 42.9 1.0 OH A:TYR167 4.5 35.9 1.0 CD C:ARG62 4.5 39.8 1.0 NH2 C:ARG62 4.6 45.1 1.0 CG C:GLU155 4.7 41.0 1.0 CD C:GLN10 4.7 35.7 1.0 NE2 C:GLN10 4.9 36.7 1.0 CG C:ARG62 4.9 36.2 1.0 O C:GLN154 4.9 29.4 1.0

M.Marino, P.Zou, D.Svergun, P.Garcia, C.Edlich, B.Simon, M.Wilmanns, C.Muhle-Goll, O.Mayans. The Ig Doublet Z1Z2: A Model System For the Hybrid Analysis of Conformational Dynamics in Ig Tandems From Titin Structure V. 14 1437 2006.
ISSN: ISSN 0969-2126
PubMed: 16962974
DOI: 10.1016/J.STR.2006.07.009