Zinc in PDB 5r4s: Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45, PDB code: 5r4s was solved by S.L.Kidd, N.Mateu, R.Talon, T.Krojer, A.Aimon, A.R.Bradley, M.Fairhead, L.Diaz-Saez, H.F.Sore, A.Madin, K.V.M.Huber, F.Von Delft, D.R.Spring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.07 / 1.61
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	58.910, 58.910, 212.330, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 24.8

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 (pdb code 5r4s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45, PDB code: 5r4s:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:0.1 occ:1.00 NE1 A:TRP149 2.4 40.8 1.0 O A:HOH521 3.0 50.0 1.0 CE2 A:TRP149 3.3 32.5 1.0 ND1 A:HIS171 3.4 28.6 1.0 CD1 A:TRP149 3.5 30.6 1.0 CG A:HIS171 3.5 24.6 1.0 CE A:MET76 3.6 29.3 1.0 CZ2 A:TRP149 3.6 40.4 1.0 O A:HOH516 3.6 72.3 1.0 CB A:HIS171 3.8 22.1 1.0 CE1 A:HIS171 4.0 31.5 1.0 SD A:MET76 4.0 29.2 1.0 CD2 A:HIS171 4.2 25.0 1.0 O A:HOH417 4.4 35.4 1.0 NE2 A:HIS171 4.5 28.8 1.0 CD1 A:ILE161 4.6 41.5 1.0 CD2 A:TRP149 4.6 34.5 1.0 CG A:TRP149 4.7 27.8 1.0 CA A:HIS171 5.0 22.2 1.0 CG A:PRO168 5.0 30.5 1.0

Zinc binding site 2 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn303 b:0.6 occ:1.00 ND1 A:HIS89 2.4 31.3 1.0 CG A:HIS89 3.3 28.8 1.0 CA A:HIS89 3.3 30.5 1.0 CE1 A:HIS89 3.4 28.1 1.0 CB A:HIS89 3.5 28.4 1.0 N A:HIS89 4.2 28.6 1.0 O A:HOH474 4.4 41.6 1.0 C A:HIS89 4.4 33.1 1.0 CD2 A:HIS89 4.5 27.2 1.0 NE2 A:HIS89 4.6 26.6 1.0 O A:HIS89 4.9 32.7 1.0

Zinc binding site 3 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:31.1 occ:1.00 OE1 B:GLU88 1.8 32.3 0.3 NE2 B:HIS93 2.1 22.9 1.0 CD B:GLU88 2.8 33.8 0.3 CE1 B:HIS93 3.0 24.7 1.0 O B:HOH401 3.1 53.6 1.0 CD2 B:HIS93 3.1 26.8 1.0 CG B:GLU88 3.2 34.7 0.3 OE2 B:GLU88 3.9 34.4 0.3 ND1 B:HIS93 4.1 23.5 1.0 CB B:GLU88 4.2 36.7 0.2 CG B:HIS93 4.2 22.2 1.0 CG B:GLU88 4.3 39.8 0.2 CG B:PRO197 4.5 28.9 1.0 CB B:PRO197 4.5 28.9 1.0 CB B:GLU88 4.6 34.4 0.3 CD B:PRO197 4.7 28.9 1.0 O B:GLU88 4.7 41.3 0.3 ND1 B:HIS89 4.8 45.3 0.3 O B:HOH481 5.0 49.9 1.0

Zinc binding site 4 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:38.8 occ:1.00 NE2 B:HIS164 1.7 32.9 1.0 O B:HOH501 2.5 35.8 1.0 CE1 B:HIS164 2.5 37.8 1.0 CD2 B:HIS164 2.9 32.9 1.0 ND1 B:HIS164 3.7 32.1 1.0 CG B:HIS164 3.9 33.0 1.0

Zinc binding site 5 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:0.0 occ:1.00 ND1 B:HIS164 3.6 32.1 1.0 CE1 B:HIS164 3.9 37.8 1.0 CG B:HIS164 4.8 33.0 1.0

Zinc binding site 6 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-45 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:0.6 occ:1.00 NE1 B:TRP149 2.1 35.9 1.0 CD1 B:TRP149 3.1 34.4 1.0 CE2 B:TRP149 3.1 33.3 1.0 CZ2 B:TRP149 3.6 40.5 1.0 ND1 B:HIS171 3.6 31.3 1.0 CG B:HIS171 3.8 29.6 1.0 CE1 B:HIS171 4.0 33.0 1.0 CD1 B:ILE161 4.1 42.3 1.0 CB B:HIS171 4.2 26.2 1.0 CE B:MET76 4.2 36.0 1.0 CG B:TRP149 4.3 30.8 1.0 CD2 B:TRP149 4.3 33.5 1.0 CD2 B:HIS171 4.3 30.2 1.0 SD B:MET76 4.3 35.1 1.0 NE2 B:HIS171 4.4 32.7 1.0 CG1 B:ILE161 4.6 37.6 1.0 CH2 B:TRP149 4.9 43.4 1.0 CG B:PRO168 4.9 35.1 1.0

S.L.Kidd, N.Mateu, R.Talon, T.Krojer, A.Aimon, A.R.Bradley, M.Fairhead, L.Diaz-Saez, H.F.Sore, A.Madin, K.V.M.Huber, F.Von Delft, D.R.Spring. Pandda Analysis Group Deposition To Be Published.