Zinc in PDB 4fed: Crystal Structure of HTT36Q3H

The structure of Crystal Structure of HTT36Q3H, PDB code: 4fed was solved by M.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.00 / 2.81
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	153.182, 177.357, 78.346, 90.00, 108.67, 90.00
R / Rfree (%)	23.7 / 26.9

The structure of Crystal Structure of HTT36Q3H also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 35;

Binding sites:

The binding sites of Zinc atom in the Crystal Structure of HTT36Q3H (pdb code 4fed). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 35 binding sites of Zinc where determined in the Crystal Structure of HTT36Q3H, PDB code: 4fed:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:0.2 occ:1.00 OD2 A:ASP65 2.9 82.1 1.0 CG A:ASP65 3.0 81.5 1.0 OD1 A:ASP65 3.0 82.1 1.0 O A:HOH602 3.2 45.7 1.0 SD A:MET330 4.0 86.0 1.0 CB A:ASP65 4.0 80.9 1.0 CG A:MET330 4.2 84.9 1.0

Zinc binding site 2 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:0.9 occ:1.00 CE1 A:HIS203 2.7 83.5 1.0 CA A:CA509 2.8 0.8 1.0 O A:HOH605 2.9 69.7 1.0 O A:HOH606 3.2 66.4 1.0 NE2 A:HIS203 3.2 85.3 1.0 ND1 A:HIS203 3.9 82.8 1.0 CB A:ASN201 4.0 86.8 1.0 OD1 A:ASN201 4.2 86.6 1.0 CG A:ASN201 4.3 88.0 1.0 CB A:PRO133 4.5 0.4 1.0 CD2 A:HIS203 4.6 85.8 1.0 CG A:HIS203 4.9 84.2 1.0 O A:ASN201 4.9 90.3 1.0

Zinc binding site 3 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn503 b:0.4 occ:0.50 O A:HOH607 2.7 15.4 1.0 OE1 A:GLU310 2.9 84.2 1.0 CD A:GLU310 3.4 82.9 1.0 ZN A:ZN504 3.5 0.7 0.5 OE2 A:GLU310 3.5 83.4 1.0 O A:SER306 4.4 84.0 1.0 O A:HOH608 4.6 13.7 1.0 CG A:GLU310 4.6 80.7 1.0 CB A:GLU310 4.7 80.4 1.0 CA A:GLU310 5.0 80.2 1.0

Zinc binding site 4 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn504 b:0.7 occ:0.50 OE2 A:GLU310 2.7 83.4 1.0 O A:HOH608 3.4 13.7 1.0 ZN A:ZN503 3.5 0.4 0.5 NZ A:LYS313 3.7 83.2 1.0 CD A:GLU310 3.7 82.9 1.0 OE1 A:GLU310 4.2 84.2 1.0 CE A:LYS313 4.5 82.5 1.0 CG A:GLU310 4.9 80.7 1.0

Zinc binding site 5 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn505 b:85.5 occ:0.50 OD1 A:ASP55 4.1 0.5 1.0 O A:THR53 4.3 0.7 1.0 O A:GLY54 4.6 94.8 1.0 C A:GLY54 4.9 93.2 1.0

Zinc binding site 6 out of 35 in the Crystal Structure of HTT36Q3H


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 HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn506 b:0.0 occ:1.00 O A:HOH615 3.2 69.5 1.0 CE A:LYS1 3.3 67.8 0.5 CD A:LYS1 3.4 67.8 0.5 CG A:LYS1 3.5 67.7 0.5 O A:HOH610 3.6 36.9 1.0 O A:LYS1 3.6 67.7 0.5 CB A:LYS1 4.4 67.7 0.5 NZ A:LYS1 4.4 67.7 0.5 C A:LYS1 4.6 67.7 0.5

Zinc binding site 7 out of 35 in the Crystal Structure of HTT36Q3H


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn507 b:0.3 occ:1.00 O A:HIS39 2.4 0.7 1.0 ND1 A:HIS39 2.5 0.9 1.0 CE1 A:HIS39 3.1 0.3 1.0 C A:HIS39 3.6 0.8 1.0 CG A:HIS39 3.6 0.1 1.0 O A:HOH611 3.9 29.6 1.0 CB A:HIS39 4.1 0.6 1.0 OD1 A:ASP41 4.1 0.3 1.0 NE2 A:HIS39 4.2 0.1 1.0 CA A:HIS39 4.4 0.2 1.0 CD2 A:HIS39 4.5 0.1 1.0 N A:PRO40 4.5 0.8 1.0 CA A:PRO40 4.5 0.5 1.0 N A:ASP41 4.6 0.1 1.0 C A:PRO40 4.6 0.3 1.0 CG A:ASP41 4.7 0.7 1.0

Zinc binding site 8 out of 35 in the Crystal Structure of HTT36Q3H


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn508 b:0.6 occ:1.00 OE1 A:GLU172 3.6 0.2 1.0 CG A:GLU172 4.2 0.6 1.0 CD A:GLU172 4.4 0.5 1.0 CB A:GLU172 4.9 0.6 1.0

Zinc binding site 9 out of 35 in the Crystal Structure of HTT36Q3H


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:0.2 occ:1.00 OE1 B:GLU291 2.8 79.0 1.0 OE2 B:GLU291 3.3 79.6 1.0 CD B:GLU291 3.3 78.6 1.0 OE2 B:GLU310 3.9 74.1 1.0 CG B:GLU291 4.6 77.3 1.0 CD B:GLU310 5.0 74.7 1.0

Zinc binding site 10 out of 35 in the Crystal Structure of HTT36Q3H


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Crystal Structure of HTT36Q3H within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:0.3 occ:1.00 OG B:SER211 3.7 0.5 1.0

M.Kim, M.Kim. N/A N/A.
ISSN: ISSN 1933-690X
PubMed: 23370273
DOI: 10.4161/PRI.23807