Zinc in PDB 5r4r: Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-42

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-42, PDB code: 5r4r 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)	70.95 / 1.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.090, 59.090, 212.840, 90.00, 90.00, 120.00
R / Rfree (%)	21 / 24.2

The binding sites of Zinc atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-42 (pdb code 5r4r). 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 EN08775-42, PDB code: 5r4r:
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 EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:0.2 occ:1.00 NE1 A:TRP149 2.4 38.0 1.0 O A:HOH537 3.1 49.8 1.0 ND1 A:HIS171 3.3 26.8 1.0 CG A:HIS171 3.4 20.5 1.0 CE2 A:TRP149 3.4 29.4 1.0 CD1 A:TRP149 3.4 27.7 1.0 CE A:MET76 3.5 28.1 1.0 CB A:HIS171 3.6 19.0 1.0 CZ2 A:TRP149 3.7 36.0 1.0 SD A:MET76 3.8 24.7 1.0 CE1 A:HIS171 3.9 27.4 1.0 CD2 A:HIS171 4.0 21.7 1.0 O A:HOH413 4.3 30.4 1.0 NE2 A:HIS171 4.4 25.2 1.0 CD2 A:TRP149 4.6 32.5 1.0 CG A:TRP149 4.6 23.4 1.0 CD1 A:ILE161 4.7 35.5 1.0 CA A:HIS171 4.8 19.8 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 EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:0.9 occ:1.00 ND1 A:HIS89 2.6 26.2 1.0 CA A:HIS89 3.3 25.7 1.0 CB A:HIS89 3.4 25.4 1.0 CG A:HIS89 3.4 25.6 1.0 CE1 A:HIS89 3.7 24.3 1.0 N A:HIS89 4.2 24.9 1.0 C A:HIS89 4.3 26.4 1.0 O A:HOH490 4.4 37.8 1.0 CD2 A:HIS89 4.6 24.8 1.0 O A:HIS89 4.7 27.5 1.0 NE2 A:HIS89 4.7 24.2 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 EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:27.7 occ:1.00 OE1 B:GLU88 1.8 28.7 0.3 NE2 B:HIS93 2.0 18.8 1.0 O B:HOH401 2.8 44.9 1.0 CD B:GLU88 2.8 32.3 0.3 CE1 B:HIS93 2.9 21.2 1.0 CD2 B:HIS93 3.1 22.2 1.0 CG B:GLU88 3.2 33.0 0.3 OE2 B:GLU88 4.0 32.3 0.3 CB B:GLU88 4.1 32.1 0.2 CG B:GLU88 4.1 34.3 0.2 ND1 B:HIS93 4.1 21.2 1.0 CG B:HIS93 4.2 20.0 1.0 CG B:PRO197 4.4 24.5 1.0 CB B:PRO197 4.6 24.2 1.0 CD B:PRO197 4.7 23.3 1.0 O B:GLU88 4.7 35.4 0.3 CB B:GLU88 4.7 33.2 0.3 O B:HOH459 4.8 42.3 1.0 ND1 B:HIS89 4.9 41.0 0.3

Zinc binding site 4 out of 6 in the Pandda Analysis Group Deposition -- Crystal Structure of Human Cleavage Factor Im in Complex with EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn302 b:33.4 occ:1.00 NE2 B:HIS164 1.9 31.8 1.0 CE1 B:HIS164 2.8 30.8 1.0 CD2 B:HIS164 3.0 27.0 1.0 ND1 B:HIS164 4.0 29.7 1.0 CG B:HIS164 4.1 26.9 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 EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:0.1 occ:1.00 ND1 B:HIS164 3.5 29.7 1.0 CE1 B:HIS164 3.6 30.8 1.0 CG B:HIS164 4.8 26.9 1.0 NE2 B:HIS164 4.8 31.8 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 EN08775-42


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 EN08775-42 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn304 b:0.2 occ:1.00 NE1 B:TRP149 2.3 33.2 1.0 CD1 B:TRP149 3.1 30.4 1.0 CE2 B:TRP149 3.4 28.1 1.0 ND1 B:HIS171 3.8 30.6 1.0 CZ2 B:TRP149 3.9 36.3 1.0 CG B:HIS171 4.0 25.4 1.0 CE B:MET76 4.0 30.9 1.0 CD1 B:ILE161 4.0 35.0 1.0 SD B:MET76 4.1 29.8 1.0 CB B:HIS171 4.2 24.0 1.0 CE1 B:HIS171 4.3 32.2 1.0 CG B:TRP149 4.3 26.9 1.0 CD2 B:TRP149 4.4 31.2 1.0 CD2 B:HIS171 4.5 26.2 1.0 CG1 B:ILE161 4.6 30.1 1.0 CG B:PRO168 4.6 30.0 1.0 NE2 B:HIS171 4.7 31.1 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.