Zinc in PDB 7ala: Human Gch-Gfrp Inhibitory Complex

All present enzymatic activity of Human Gch-Gfrp Inhibitory Complex:
3.5.4.16;

The structure of Human Gch-Gfrp Inhibitory Complex, PDB code: 7ala was solved by R.Ebenhoch, H.Nar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.74 / 1.85
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	162.745, 114.013, 113.83, 90, 130.34, 90
R / Rfree (%)	18.5 / 22

The structure of Human Gch-Gfrp Inhibitory Complex also contains other interesting chemical elements:

Fluorine	(F)	5 atoms
Sodium	(Na)	5 atoms

The binding sites of Zinc atom in the Human Gch-Gfrp Inhibitory Complex (pdb code 7ala). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 5 binding sites of Zinc where determined in the Human Gch-Gfrp Inhibitory Complex, PDB code: 7ala:
Jump to Zinc binding site number: 1; 2; 3; 4; 5;

Zinc binding site 1 out of 5 in the Human Gch-Gfrp Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Gch-Gfrp Inhibitory Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:69.8 occ:1.00 ND1 A:HIS144 2.2 49.1 1.0 SG A:CYS141 2.2 49.0 1.0 SG A:CYS212 2.5 59.5 1.0 CE1 A:HIS144 3.1 50.0 1.0 CG A:HIS144 3.3 46.6 1.0 CB A:CYS212 3.3 52.3 1.0 CB A:CYS141 3.3 40.6 1.0 CB A:HIS144 3.7 43.9 1.0 N A:HIS144 3.9 42.0 1.0 CB A:HIS143 4.1 43.7 1.0 NE2 A:HIS144 4.3 49.9 1.0 CD2 A:HIS144 4.4 48.1 1.0 CA A:HIS144 4.4 42.3 1.0 C A:HIS143 4.7 42.7 1.0 ND1 A:HIS143 4.7 48.8 1.0 CA A:CYS141 4.7 39.6 1.0 CA A:HIS143 4.8 42.0 1.0 CA A:CYS212 4.8 50.8 1.0 N A:HIS143 4.8 41.1 1.0 CG A:HIS143 4.9 46.5 1.0

Zinc binding site 2 out of 5 in the Human Gch-Gfrp Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Gch-Gfrp Inhibitory Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:65.7 occ:1.00 SG B:CYS141 2.2 51.3 1.0 ND1 B:HIS144 2.4 40.6 1.0 SG B:CYS212 2.5 52.6 1.0 CB B:CYS212 3.0 44.7 1.0 CE1 B:HIS144 3.3 40.5 1.0 CB B:CYS141 3.4 42.9 1.0 CG B:HIS144 3.4 38.7 1.0 CB B:HIS144 3.7 37.3 1.0 N B:HIS144 4.0 38.6 1.0 CB B:HIS143 4.2 42.1 1.0 O B:HOH423 4.4 31.0 1.0 NE2 B:HIS144 4.4 40.0 1.0 CA B:CYS212 4.5 43.3 1.0 CA B:HIS144 4.5 37.9 1.0 CD2 B:HIS144 4.5 39.1 1.0 ND1 B:HIS143 4.7 47.9 1.0 CA B:CYS141 4.7 40.3 1.0 C B:HIS143 4.7 40.1 1.0 CA B:HIS143 4.8 40.4 1.0 N B:HIS143 4.9 39.6 1.0 CG B:HIS143 4.9 45.5 1.0

Zinc binding site 3 out of 5 in the Human Gch-Gfrp Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Human Gch-Gfrp Inhibitory Complex within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:47.6 occ:1.00 SG C:CYS141 2.2 38.2 1.0 ND1 C:HIS144 2.3 32.8 1.0 SG C:CYS212 2.4 35.4 1.0 O C:HOH475 2.9 37.5 1.0 CE1 C:HIS144 3.1 33.4 1.0 CB C:CYS212 3.4 35.2 1.0 O D:HOH470 3.4 54.0 1.0 CG C:HIS144 3.5 30.6 1.0 CB C:CYS141 3.5 29.3 1.0 CB C:HIS144 3.9 28.0 1.0 O D:HOH469 4.0 42.5 1.0 CB C:HIS143 4.1 28.7 1.0 N C:HIS144 4.2 26.4 1.0 NE2 C:HIS144 4.4 33.3 1.0 O C:HOH439 4.4 24.0 1.0 ND1 C:HIS143 4.5 35.3 1.0 CD2 C:HIS144 4.5 31.9 1.0 CA C:HIS144 4.7 26.9 1.0 CA C:CYS212 4.8 34.8 1.0 CG C:HIS143 4.8 32.8 1.0 C C:HIS143 4.9 26.4 1.0 CA C:CYS141 4.9 27.2 1.0 CA C:HIS143 4.9 26.4 1.0 N C:HIS143 4.9 25.0 1.0

Zinc binding site 4 out of 5 in the Human Gch-Gfrp Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Human Gch-Gfrp Inhibitory Complex within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:60.8 occ:1.00 ND1 D:HIS144 2.1 43.7 1.0 SG D:CYS141 2.3 48.2 1.0 SG D:CYS212 2.4 57.1 1.0 CE1 D:HIS144 3.0 43.9 1.0 CB D:CYS212 3.1 51.0 1.0 CG D:HIS144 3.2 41.6 1.0 O D:HOH481 3.3 55.1 1.0 CB D:CYS141 3.4 37.4 1.0 CB D:HIS144 3.6 38.9 1.0 N D:HIS144 3.8 38.7 1.0 CB D:HIS143 4.0 38.2 1.0 NE2 D:HIS144 4.2 43.5 1.0 CD2 D:HIS144 4.3 42.9 1.0 CA D:HIS144 4.3 38.4 1.0 ND1 D:HIS143 4.5 42.6 1.0 CA D:CYS212 4.5 48.9 1.0 C D:HIS143 4.6 38.8 1.0 O D:HOH413 4.6 46.5 1.0 CA D:HIS143 4.7 37.7 1.0 CG D:HIS143 4.8 40.5 1.0 CA D:CYS141 4.8 34.9 1.0 N D:HIS143 4.8 36.9 1.0

Zinc binding site 5 out of 5 in the Human Gch-Gfrp Inhibitory Complex


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Human Gch-Gfrp Inhibitory Complex within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn301 b:51.4 occ:1.00 SG E:CYS141 2.2 37.4 1.0 ND1 E:HIS144 2.3 37.7 1.0 SG E:CYS212 2.4 46.6 1.0 CE1 E:HIS144 3.1 38.2 1.0 O E:HOH468 3.3 49.5 1.0 CB E:CYS212 3.3 43.7 1.0 O A:HOH467 3.4 46.8 1.0 CG E:HIS144 3.4 35.8 1.0 CB E:CYS141 3.5 33.8 1.0 O A:HOH449 3.6 38.9 1.0 CB E:HIS144 3.8 35.0 1.0 CB E:HIS143 3.9 36.1 1.0 N E:HIS144 4.0 34.7 1.0 NE2 E:HIS144 4.3 38.3 1.0 CD2 E:HIS144 4.5 37.0 1.0 ND1 E:HIS143 4.6 41.5 1.0 CA E:HIS144 4.6 34.8 1.0 O E:HOH419 4.6 26.0 1.0 C E:HIS143 4.7 35.2 1.0 CA E:HIS143 4.7 34.5 1.0 CG E:HIS143 4.7 39.0 1.0 CA E:CYS212 4.7 43.6 1.0 CG2 E:VAL146 4.7 37.2 1.0 CA E:CYS141 4.8 33.0 1.0 N E:HIS143 4.8 33.8 1.0

R.Ebenhoch, M.Bauer, D.Reinert, A.Kersting, S.Huber, A.Schmid, I.Hinz, M.Feiler, K.Mueller, H.Nar. Using Hybrid Approaches to Study the Allosteric Regulation of Gtp Cyclohydrolase I To Be Published.