Zinc in PDB 3h5g: Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.

The structure of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides., PDB code: 3h5g was solved by 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)	14.68 / 1.71
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	76.723, 29.237, 44.385, 90.00, 119.60, 90.00
R / Rfree (%)	18.1 / 22.4

The binding sites of Zinc atom in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. (pdb code 3h5g). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 7 binding sites of Zinc where determined in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides., PDB code: 3h5g:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7;

Zinc binding site 1 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn31 b:25.1 occ:1.00 NE2 A:HIS28 2.0 20.4 1.0 CE1 A:HIS28 2.9 24.4 1.0 CD2 A:HIS28 3.0 23.4 1.0 ND1 A:HIS28 4.1 23.0 1.0 CG A:HIS28 4.1 23.6 1.0 O A:HOH39 4.4 34.7 1.0 OE2 A:GLU27 4.5 28.7 1.0 O A:HOH44 4.7 59.8 1.0 OE2 A:GLU24 4.8 21.8 1.0 ZN A:ZN35 4.8 13.1 0.2 CD A:GLU27 4.9 27.0 1.0

Zinc binding site 2 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn32 b:24.5 occ:0.70 O C:HOH35 1.6 33.9 1.0 O C:HOH56 4.3 43.6 1.0 OE2 A:GLU3 4.5 35.0 1.0 CG A:GLU3 4.7 33.9 1.0 O C:HOH36 4.9 59.6 1.0

Zinc binding site 3 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn33 b:28.0 occ:0.80 OE2 C:GLU1 1.8 27.7 1.0 O C:HOH56 1.9 43.6 1.0 OE1 A:GLU6 2.0 27.9 1.0 OE2 A:GLU6 2.4 28.7 1.0 CD A:GLU6 2.5 29.0 1.0 CD C:GLU1 2.7 28.7 1.0 OE1 C:GLU1 3.0 30.6 1.0 NE1 A:TRP2 3.7 34.0 1.0 CD1 A:TRP2 3.9 35.3 1.0 CG A:GLU6 3.9 29.7 1.0 CG C:GLU1 4.1 29.4 1.0 O C:HOH36 4.2 59.6 1.0 O C:HOH35 4.3 33.9 1.0 CB A:GLU6 4.8 29.6 1.0 CE2 A:TRP2 5.0 34.2 1.0

Zinc binding site 4 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn34 b:20.9 occ:0.80 ZN A:ZN35 0.8 13.1 0.2 O A:HOH41 1.9 27.2 1.0 OE2 A:GLU24 2.1 21.8 1.0 OE1 A:GLU24 2.6 23.3 1.0 CD A:GLU24 2.7 24.8 1.0 OE1 A:GLU27 3.8 32.9 1.0 CG A:GLU24 4.2 24.2 1.0 NZ C:LYS22 4.2 22.2 1.0 OE2 A:GLU27 4.2 28.7 1.0 O A:HOH39 4.2 34.7 1.0 CD A:GLU27 4.4 27.0 1.0 CE1 A:HIS28 4.4 24.4 1.0

Zinc binding site 5 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn35 b:13.1 occ:0.20 ZN A:ZN34 0.8 20.9 0.8 O A:HOH41 1.6 27.2 1.0 OE2 A:GLU24 1.8 21.8 1.0 OE1 A:GLU24 2.3 23.3 1.0 CD A:GLU24 2.3 24.8 1.0 OE1 A:GLU27 2.9 32.9 1.0 OE2 A:GLU27 3.6 28.7 1.0 CD A:GLU27 3.6 27.0 1.0 NZ C:LYS22 3.6 22.2 1.0 CG A:GLU24 3.8 24.2 1.0 CE1 A:HIS28 3.9 24.4 1.0 O A:HOH39 4.3 34.7 1.0 NE2 A:HIS28 4.7 20.4 1.0 CE C:LYS22 4.7 26.1 1.0 CB A:GLU24 4.8 23.9 1.0 ND1 A:HIS28 4.8 23.0 1.0 ZN A:ZN31 4.8 25.1 1.0

Zinc binding site 6 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn31 b:99.1 occ:1.00 O B:HOH57 2.6 57.6 1.0 OE2 B:GLU6 2.7 30.2 1.0 OE1 B:GLU6 3.2 26.8 1.0 CD B:GLU6 3.4 26.9 1.0 O A:HOH51 3.7 64.5 1.0 OE1 A:GLU1 3.9 40.1 0.0 NE1 B:TRP2 3.9 26.4 1.0 CZ2 B:TRP2 4.5 26.8 1.0 CE2 B:TRP2 4.5 26.6 1.0 CG B:GLU6 4.8 26.4 1.0

Zinc binding site 7 out of 7 in the Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides.


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn31 b:0.5 occ:1.00 OE2 C:GLU6 2.2 28.8 1.0 O B:HOH55 2.4 85.2 1.0 OE1 B:GLU1 2.6 29.2 1.0 O C:HOH42 2.8 66.2 1.0 OE2 B:GLU1 2.9 30.2 1.0 CD C:GLU6 3.0 28.3 1.0 CD B:GLU1 3.0 27.2 1.0 OE1 C:GLU6 3.1 34.1 1.0 O C:HOH43 3.2 71.3 1.0 NE1 C:TRP2 3.4 30.0 0.5 CD1 C:TRP2 4.2 30.0 0.5 CE2 C:TRP2 4.3 30.1 0.5 CG C:GLU6 4.4 26.7 1.0 O C:HOH54 4.4 46.1 0.5 CG B:GLU1 4.4 25.4 1.0 CZ2 C:TRP2 4.7 30.1 0.5 NE1 C:TRP2 4.7 28.0 0.5 CD1 C:TRP2 5.0 27.9 0.5

A.F.Peacock, J.A.Stuckey, V.L.Pecoraro. Switching the Chirality of the Metal Environment Alters the Coordination Mode in Designed Peptides. Angew.Chem.Int.Ed.Engl. V. 48 7371 2009.
ISSN: ISSN 1433-7851
PubMed: 19579245
DOI: 10.1002/ANIE.200902166