Zinc in PDB 7alq: Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound

All present enzymatic activity of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound:
3.5.4.16;

The structure of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound, PDB code: 7alq 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)	182.47 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.104, 185.418, 184.231, 90, 97.94, 90
R / Rfree (%)	17.7 / 22.2

The structure of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound also contains other interesting chemical elements:

Potassium

(K)

20 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20;

Binding sites:

The binding sites of Zinc atom in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound (pdb code 7alq). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 20 binding sites of Zinc where determined in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound, PDB code: 7alq:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Zinc binding site 1 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


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 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:59.9 occ:1.00 ND1 A:HIS144 2.3 30.1 1.0 SG A:CYS141 2.5 42.6 1.0 SG A:CYS212 2.5 42.9 1.0 H7 B:QBQ302 2.8 59.5 0.0 CB A:CYS212 3.0 33.8 1.0 CG A:HIS144 3.2 29.1 1.0 CE1 A:HIS144 3.3 30.3 1.0 CB A:HIS144 3.4 28.8 1.0 C4 B:QBQ302 3.6 41.2 1.0 CB A:CYS141 3.7 33.4 1.0 N A:HIS144 3.8 30.1 1.0 H6 B:QBQ302 3.8 58.8 0.0 H3 B:QBQ302 3.8 60.9 0.0 O A:HOH452 4.1 39.1 1.0 C3 B:QBQ302 4.1 40.7 1.0 CB A:HIS143 4.2 33.5 1.0 CA A:HIS144 4.2 29.6 1.0 CD2 A:HIS144 4.3 29.7 1.0 NE2 A:HIS144 4.3 30.7 1.0 CG2 A:VAL146 4.4 34.0 1.0 CA A:CYS212 4.5 32.4 1.0 O B:HOH412 4.5 26.1 1.0 C A:HIS143 4.5 31.3 1.0 CA A:HIS143 4.7 32.0 1.0 C9 B:QBQ302 4.8 43.2 1.0 N2 B:QBQ302 4.8 41.7 1.0 N A:HIS143 4.9 31.7 1.0 N A:CYS212 4.9 32.2 1.0

Zinc binding site 2 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


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 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:73.6 occ:1.00 SG B:CYS141 2.2 54.4 1.0 ND1 B:HIS144 2.5 45.9 1.0 SG B:CYS212 2.6 52.5 1.0 H7 C:QBQ302 2.6 76.0 0.0 CB B:CYS212 3.2 43.6 1.0 CE1 B:HIS144 3.2 45.9 1.0 C4 C:QBQ302 3.4 55.0 1.0 CB B:CYS141 3.4 44.0 1.0 H6 C:QBQ302 3.5 74.8 0.0 CG B:HIS144 3.5 44.1 1.0 N B:HIS144 3.8 40.8 1.0 C3 C:QBQ302 3.8 54.5 1.0 CB B:HIS144 3.9 41.6 1.0 CB B:HIS143 3.9 43.0 1.0 H3 C:QBQ302 3.9 77.8 0.0 O B:HOH451 4.1 40.1 1.0 O C:HOH421 4.3 41.0 1.0 NE2 B:HIS144 4.4 46.2 1.0 CA B:HIS144 4.5 40.6 1.0 CD2 B:HIS144 4.5 45.0 1.0 C B:HIS143 4.5 41.5 1.0 CA B:HIS143 4.6 41.6 1.0 N B:HIS143 4.7 41.1 1.0 CA B:CYS212 4.7 41.3 1.0 ND1 B:HIS143 4.7 49.2 1.0 N2 C:QBQ302 4.7 55.7 1.0 CA B:CYS141 4.8 41.4 1.0 CG B:HIS143 4.8 46.8 1.0 C9 C:QBQ302 4.9 57.0 1.0

Zinc binding site 3 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


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 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn301 b:75.5 occ:1.00 SG C:CYS141 2.1 42.0 1.0 SG C:CYS212 2.3 42.3 1.0 ND1 C:HIS144 2.5 34.5 1.0 H7 D:QBQ302 2.6 69.7 0.0 CB C:CYS212 2.8 36.7 1.0 CG C:HIS144 3.4 33.4 1.0 CE1 C:HIS144 3.4 34.8 1.0 CB C:CYS141 3.5 34.8 1.0 C4 D:QBQ302 3.5 47.2 1.0 CB C:HIS144 3.6 32.0 1.0 H6 D:QBQ302 3.7 69.3 0.0 O C:HOH453 3.8 40.9 1.0 N C:HIS144 3.8 32.4 1.0 H3 D:QBQ302 3.9 69.9 0.0 C3 D:QBQ302 4.0 46.8 1.0 CB C:HIS143 4.0 35.8 1.0 CA C:CYS212 4.3 36.0 1.0 CG2 C:VAL146 4.3 33.5 1.0 CA C:HIS144 4.3 31.8 1.0 CD2 C:HIS144 4.4 34.2 1.0 NE2 C:HIS144 4.4 35.2 1.0 C C:HIS143 4.6 33.6 1.0 CA C:HIS143 4.7 34.1 1.0 N C:HIS143 4.8 33.1 1.0 N2 D:QBQ302 4.8 47.4 1.0 CA C:CYS141 4.8 33.0 1.0 C9 D:QBQ302 4.8 48.2 1.0 N C:CYS212 4.9 36.1 1.0

Zinc binding site 4 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


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 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn301 b:73.3 occ:1.00 ND1 D:HIS144 2.3 41.3 1.0 SG D:CYS141 2.5 49.5 1.0 SG D:CYS212 2.5 51.1 1.0 H7 E:QBQ302 2.8 78.4 0.0 CB D:CYS212 3.1 43.6 1.0 CE1 D:HIS144 3.1 40.9 1.0 CG D:HIS144 3.3 40.0 1.0 CB D:CYS141 3.5 40.8 1.0 CB D:HIS144 3.6 39.5 1.0 N D:HIS144 3.7 39.9 1.0 C4 E:QBQ302 3.7 58.1 1.0 H3 E:QBQ302 3.8 81.1 0.0 O D:HIS144 4.1 44.3 1.0 H6 E:QBQ302 4.1 76.9 0.0 CB D:HIS143 4.2 41.9 1.0 CA D:HIS144 4.2 40.3 1.0 NE2 D:HIS144 4.2 41.1 1.0 CD2 D:HIS144 4.3 40.6 1.0 C3 E:QBQ302 4.3 57.3 1.0 CG2 D:VAL146 4.5 43.6 1.0 CA D:CYS212 4.5 41.9 1.0 C D:HIS143 4.6 40.0 1.0 C D:HIS144 4.6 42.0 1.0 CA D:HIS143 4.7 40.1 1.0 C9 E:QBQ302 4.8 60.5 1.0 N D:HIS143 4.8 39.7 1.0 N2 E:QBQ302 4.9 58.6 1.0 CA D:CYS141 4.9 39.0 1.0 ND1 D:HIS143 4.9 49.3 1.0

Zinc binding site 5 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


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 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn301 b:65.1 occ:1.00 SG E:CYS212 2.3 43.8 1.0 SG E:CYS141 2.3 56.3 1.0 ND1 E:HIS144 2.4 37.7 1.0 H7 A:QBQ302 2.5 71.2 0.0 CB E:CYS212 2.9 34.7 1.0 CG E:HIS144 3.3 36.2 1.0 CE1 E:HIS144 3.4 37.5 1.0 C4 A:QBQ302 3.5 50.5 1.0 CB E:HIS144 3.5 34.6 1.0 CB E:CYS141 3.5 42.9 1.0 H6 A:QBQ302 3.8 70.6 0.0 H3 A:QBQ302 3.8 70.3 0.0 N E:HIS144 3.9 35.4 1.0 C3 A:QBQ302 4.0 50.2 1.0 O E:HOH442 4.0 33.7 1.0 CB E:HIS143 4.1 40.6 1.0 CA E:HIS144 4.3 35.0 1.0 CD2 E:HIS144 4.4 36.9 1.0 CA E:CYS212 4.4 33.5 1.0 NE2 E:HIS144 4.4 37.5 1.0 C E:HIS143 4.5 37.0 1.0 CG1 E:VAL146 4.5 39.1 1.0 C9 A:QBQ302 4.7 50.3 1.0 CA E:HIS143 4.7 38.4 1.0 N2 A:QBQ302 4.7 50.8 1.0 N E:HIS143 4.9 37.8 1.0 N E:CYS212 4.9 33.4 1.0 CA E:CYS141 4.9 39.7 1.0 O12 A:QBQ302 4.9 49.4 1.0

Zinc binding site 6 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn301 b:69.5 occ:1.00 SG F:CYS212 2.2 50.9 1.0 SG F:CYS141 2.2 43.9 1.0 ND1 F:HIS144 2.4 42.9 1.0 H7 G:QBQ302 2.6 69.0 0.0 CB F:CYS212 3.0 43.5 1.0 CG F:HIS144 3.3 40.7 1.0 CE1 F:HIS144 3.4 43.0 1.0 CB F:CYS141 3.4 34.2 1.0 C4 G:QBQ302 3.4 48.8 1.0 CB F:HIS144 3.5 37.6 1.0 H6 G:QBQ302 3.6 68.6 0.0 C3 G:QBQ302 3.9 48.9 1.0 H3 G:QBQ302 3.9 69.9 0.0 N F:HIS144 3.9 36.1 1.0 CB F:HIS143 4.3 36.9 1.0 O G:HOH410 4.3 36.1 1.0 CA F:HIS144 4.4 36.5 1.0 CD2 F:HIS144 4.4 41.9 1.0 NE2 F:HIS144 4.4 43.3 1.0 CG2 F:VAL146 4.4 40.1 1.0 CA F:CYS212 4.5 41.4 1.0 C F:HIS143 4.6 36.8 1.0 N2 G:QBQ302 4.7 49.1 1.0 CA F:CYS141 4.8 32.2 1.0 C9 G:QBQ302 4.8 50.1 1.0 CA F:HIS143 4.8 35.8 1.0 N F:HIS143 4.9 34.5 1.0 N F:CYS212 4.9 39.9 1.0 ND1 F:HIS143 5.0 41.4 1.0

Zinc binding site 7 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn301 b:85.2 occ:1.00 SG G:CYS141 2.2 46.4 1.0 H7 H:QBQ302 2.4 64.5 0.0 SG G:CYS212 2.5 49.3 1.0 ND1 G:HIS144 2.5 42.5 1.0 CB G:CYS212 3.0 41.4 1.0 C4 H:QBQ302 3.3 44.3 1.0 CE1 G:HIS144 3.4 43.2 1.0 CG G:HIS144 3.5 41.1 1.0 H6 H:QBQ302 3.5 63.5 0.0 CB G:CYS141 3.6 40.4 1.0 CB G:HIS144 3.7 39.1 1.0 C3 H:QBQ302 3.7 43.8 1.0 H3 H:QBQ302 3.8 65.3 0.0 N G:HIS144 3.8 39.0 1.0 O G:HOH444 3.9 37.9 1.0 CB G:HIS143 4.2 41.9 1.0 O H:HOH412 4.3 45.8 1.0 CA G:HIS144 4.4 39.0 1.0 CA G:CYS212 4.5 39.4 1.0 N2 H:QBQ302 4.5 44.7 1.0 NE2 G:HIS144 4.5 43.8 1.0 CD2 G:HIS144 4.6 42.5 1.0 CG2 G:VAL146 4.6 38.7 1.0 C G:HIS143 4.7 39.7 1.0 C9 H:QBQ302 4.7 45.8 1.0 CA G:HIS143 4.8 40.0 1.0 N G:HIS143 4.8 39.2 1.0 ND1 G:HIS143 4.9 49.8 1.0 CA G:CYS141 5.0 38.7 1.0 N G:CYS212 5.0 38.9 1.0

Zinc binding site 8 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn301 b:70.2 occ:1.00 SG H:CYS141 2.3 45.8 1.0 ND1 H:HIS144 2.3 34.3 1.0 SG H:CYS212 2.5 52.4 1.0 H7 I:QBQ302 2.6 73.7 0.0 CB H:CYS212 3.0 43.4 1.0 CG H:HIS144 3.2 33.2 1.0 CE1 H:HIS144 3.3 34.3 1.0 CB H:HIS144 3.4 33.0 1.0 C4 I:QBQ302 3.5 49.2 1.0 N H:HIS144 3.7 35.5 1.0 H3 I:QBQ302 3.7 75.0 0.0 CB H:CYS141 3.7 35.2 1.0 H6 I:QBQ302 3.9 72.3 0.0 C3 I:QBQ302 4.1 48.7 1.0 CB H:HIS143 4.1 37.9 1.0 CA H:HIS144 4.2 34.3 1.0 CD2 H:HIS144 4.3 33.9 1.0 NE2 H:HIS144 4.4 34.4 1.0 C H:HIS143 4.4 36.5 1.0 CG2 H:VAL146 4.5 34.3 1.0 CA H:CYS212 4.6 41.1 1.0 CA H:HIS143 4.6 36.4 1.0 C9 I:QBQ302 4.7 51.0 1.0 N H:HIS143 4.7 35.1 1.0 N2 I:QBQ302 4.7 49.6 1.0 ND1 H:HIS143 5.0 44.4 1.0

Zinc binding site 9 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ I:Zn301 b:73.2 occ:1.00 SG I:CYS141 2.2 50.3 1.0 SG I:CYS212 2.4 50.9 1.0 ND1 I:HIS144 2.5 39.6 1.0 H7 J:QBQ302 2.7 72.2 0.0 CB I:CYS212 2.7 40.6 1.0 CG I:HIS144 3.4 38.4 1.0 CB I:CYS141 3.4 40.0 1.0 CB I:HIS144 3.5 36.9 1.0 CE1 I:HIS144 3.5 40.0 1.0 C4 J:QBQ302 3.6 50.7 1.0 H6 J:QBQ302 3.8 71.7 0.0 N I:HIS144 3.8 36.8 1.0 O I:HOH446 4.0 49.2 1.0 H3 J:QBQ302 4.0 73.2 0.0 CB I:HIS143 4.0 39.2 1.0 C3 J:QBQ302 4.1 50.3 1.0 CA I:CYS212 4.2 38.1 1.0 CA I:HIS144 4.3 36.7 1.0 CG2 I:VAL146 4.4 38.5 1.0 C I:HIS143 4.5 37.4 1.0 CD2 I:HIS144 4.6 39.2 1.0 NE2 I:HIS144 4.6 40.1 1.0 CA I:HIS143 4.7 38.0 1.0 N I:CYS212 4.8 37.5 1.0 CA I:CYS141 4.8 36.9 1.0 N I:HIS143 4.8 37.3 1.0 N2 J:QBQ302 4.9 51.0 1.0 C9 J:QBQ302 4.9 52.1 1.0 O12 J:QBQ302 5.0 52.0 1.0

Zinc binding site 10 out of 20 in the Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 10 of Human Gch-Gfrp Inhibitory Complex 7-Deaza-Gtp Bound within 5.0Å range: probe atom residue distance (Å) B Occ J:Zn301 b:63.2 occ:1.00 SG J:CYS141 2.2 40.8 1.0 SG J:CYS212 2.3 50.4 1.0 ND1 J:HIS144 2.4 33.9 1.0 H7 F:QBQ302 2.6 62.8 0.0 CB J:CYS212 3.0 38.4 1.0 CG J:HIS144 3.3 31.8 1.0 CE1 J:HIS144 3.4 34.6 1.0 CB J:CYS141 3.4 33.8 1.0 CB J:HIS144 3.5 29.5 1.0 C4 F:QBQ302 3.5 42.9 1.0 H6 F:QBQ302 3.7 62.4 0.0 N J:HIS144 3.8 29.7 1.0 H3 F:QBQ302 3.9 65.2 0.0 C3 F:QBQ302 3.9 42.6 1.0 O J:HOH462 4.1 29.5 1.0 O F:HOH425 4.1 41.1 1.0 CB J:HIS143 4.1 33.7 1.0 CA J:HIS144 4.3 29.6 1.0 CG2 J:VAL146 4.3 37.1 1.0 CD2 J:HIS144 4.4 33.0 1.0 NE2 J:HIS144 4.5 34.5 1.0 CA J:CYS212 4.5 36.4 1.0 C J:HIS143 4.6 30.9 1.0 CA J:HIS143 4.7 31.6 1.0 N2 F:QBQ302 4.8 43.5 1.0 CA J:CYS141 4.8 32.1 1.0 N J:HIS143 4.8 30.8 1.0 C9 F:QBQ302 4.9 46.0 1.0

R.Ebenhoch, M.Bauer, 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.