Zinc in PDB 2x6p: Crystal Structure of Coil Ser L19C

The structure of Crystal Structure of Coil Ser L19C, PDB code: 2x6p was solved by S.Chakraborty, D.S.Touw, A.F.A.Peacock, J.A.Stuckey, V.L.Pecoraro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.99 / 2.15
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	38.089, 38.089, 178.798, 90.00, 90.00, 120.00
R / Rfree (%)	21.994 / 26.432

The binding sites of Zinc atom in the Crystal Structure of Coil Ser L19C (pdb code 2x6p). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Crystal Structure of Coil Ser L19C, PDB code: 2x6p:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1030 b:60.3 occ:1.00 OE2 B:GLU6 1.9 43.5 1.0 OE1 A:GLU1 2.3 52.9 1.0 OE2 A:GLU1 2.6 49.5 1.0 CD A:GLU1 2.7 50.4 1.0 CD B:GLU6 3.1 43.4 1.0 ZN B:ZN1031 3.4 58.2 1.0 OE1 B:GLU6 3.6 46.2 1.0 NE1 B:TRP2 3.9 55.9 1.0 CG A:GLU1 4.2 52.5 1.0 CG B:GLU6 4.3 40.9 1.0 CZ2 B:TRP2 4.7 54.5 1.0 CE2 B:TRP2 4.7 52.9 1.0

Zinc binding site 2 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1031 b:58.2 occ:1.00 OE1 B:GLU6 2.1 46.2 1.0 OE1 B:GLU3 2.4 65.6 1.0 CD B:GLU3 2.8 64.9 1.0 CD B:GLU6 3.0 43.4 1.0 OE2 B:GLU3 3.1 72.9 1.0 OE2 B:GLU6 3.2 43.5 1.0 ZN B:ZN1030 3.4 60.3 1.0 CG B:GLU3 3.8 59.3 1.0 NE1 B:TRP2 4.1 55.9 1.0 CD1 B:TRP2 4.2 54.3 1.0 CG B:GLU6 4.4 40.9 1.0 CB B:GLU6 4.7 41.9 1.0 CB B:GLU3 4.8 53.6 1.0 CA B:GLU3 4.9 50.0 1.0

Zinc binding site 3 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1032 b:63.4 occ:1.00 OE2 B:GLU24 2.1 61.0 1.0 OE1 B:GLU27 2.2 70.3 1.0 CD B:GLU27 2.7 63.6 1.0 CD B:GLU24 2.9 55.3 1.0 OE2 B:GLU27 3.0 66.0 1.0 OE1 B:GLU24 3.0 53.7 1.0 ZN B:ZN1033 3.6 56.9 1.0 NZ A:LYS22 3.8 56.1 1.0 CG B:GLU27 3.9 60.2 1.0 CE1 B:HIS28 4.0 59.2 1.0 CG B:GLU24 4.2 49.5 1.0 NE2 B:HIS28 4.4 53.5 1.0 CB B:GLU27 4.7 53.2 1.0 CE A:LYS22 4.8 58.3 1.0 ND1 B:HIS28 5.0 61.1 1.0

Zinc binding site 4 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1033 b:56.9 occ:1.00 NE2 B:HIS28 2.0 53.5 1.0 OE2 B:GLU24 2.3 61.0 1.0 CE1 B:HIS28 2.4 59.2 1.0 CD B:GLU24 3.2 55.3 1.0 CD2 B:HIS28 3.3 54.7 1.0 CG B:GLU24 3.3 49.5 1.0 ZN B:ZN1032 3.6 63.4 1.0 ND1 B:HIS28 3.7 61.1 1.0 CG B:HIS28 4.1 58.6 1.0 OE1 B:GLU24 4.4 53.7 1.0 CB B:GLU24 4.9 41.7 1.0 O B:GLU24 5.0 44.8 1.0

Zinc binding site 5 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1030 b:35.6 occ:1.00 O C:HOH2005 1.4 32.9 1.0 ND1 C:HIS28 2.0 29.1 1.0 CE1 C:HIS28 2.8 27.9 1.0 CG C:HIS28 3.1 31.6 1.0 CB C:HIS28 3.6 32.8 1.0 CA C:HIS28 3.7 33.6 1.0 O C:GLU27 4.0 35.5 1.0 NE2 C:HIS28 4.0 26.8 1.0 CD2 C:HIS28 4.1 26.3 1.0 C C:GLU27 4.4 33.1 1.0 N C:HIS28 4.5 32.7 1.0 C C:HIS28 4.8 36.6 1.0 O C:HIS28 4.9 37.3 1.0

Zinc binding site 6 out of 6 in the Crystal Structure of Coil Ser L19C


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Coil Ser L19C within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1031 b:34.5 occ:1.00 OE1 C:GLU27 1.8 33.0 1.0 O C:HOH2006 1.8 49.6 1.0 OE1 C:GLU24 1.8 26.4 1.0 CD C:GLU24 2.7 34.7 1.0 CD C:GLU27 2.7 35.1 1.0 OE2 C:GLU27 2.9 37.0 1.0 OE2 C:GLU24 3.0 30.4 1.0 NE2 C:HIS28 3.9 26.8 1.0 CG C:GLU24 4.1 33.1 1.0 CG C:GLU27 4.2 34.3 1.0 CD B:LYS22 4.4 40.7 1.0 CE B:LYS22 4.4 52.6 1.0 O C:HOH2003 4.4 45.4 1.0 CB C:GLU27 4.6 32.7 1.0 NZ B:LYS22 4.7 60.0 1.0 CD2 C:HIS28 4.7 26.3 1.0 CA C:GLU24 4.8 29.3 1.0 CE1 C:HIS28 4.8 27.9 1.0 CB C:GLU24 5.0 27.9 1.0 CG B:LYS22 5.0 36.6 1.0

S.Chakraborty, D.S.Touw, A.F.A.Peacock, J.A.Stuckey, V.L.Pecoraro. Structural Comparisons of Apo- and Metalated Three- Stranded Coiled Coils Clarify Metal Binding Determinants in Thiolate Containing Designed Peptides. J.Am.Chem.Soc. V. 132 13240 2010.
ISSN: ISSN 0002-7863
PubMed: 20825181
DOI: 10.1021/JA101812C