Iron in PDB 3ive: Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine

The structure of Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine, PDB code: 3ive was solved by U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	156.261, 77.453, 47.518, 90.00, 103.83, 90.00
R / Rfree (%)	16.5 / 19

The structure of Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine (pdb code 3ive). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine, PDB code: 3ive:

Iron binding site 1 out of 1 in the Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe602 b:11.3 occ:0.80 O2 A:SO4604 2.1 4.2 0.5 OD1 A:ASN111 2.1 11.0 1.0 OD2 A:ASP79 2.1 11.2 1.0 ND1 A:HIS251 2.2 11.5 1.0 NE2 A:HIS212 2.2 11.9 1.0 O4 A:SO4604 2.5 7.8 0.5 S A:SO4604 2.9 12.6 0.5 CE1 A:HIS251 3.0 13.8 1.0 CG A:ASN111 3.1 9.2 1.0 CG A:ASP79 3.1 11.9 1.0 CE1 A:HIS212 3.2 13.2 1.0 CD2 A:HIS212 3.2 10.2 1.0 ND2 A:ASN111 3.4 10.4 1.0 CG A:HIS251 3.4 13.7 1.0 OD1 A:ASP79 3.5 12.9 1.0 MN A:MN601 3.5 13.0 0.8 CA A:HIS251 3.7 13.5 1.0 O3 A:SO4604 3.7 9.6 0.5 CB A:HIS251 3.8 13.2 1.0 OD1 A:ASP32 4.0 13.5 1.0 O1 A:SO4604 4.0 7.3 0.5 CD2 A:HIS112 4.1 10.7 1.0 NE2 A:HIS251 4.2 12.1 1.0 ND1 A:HIS212 4.3 11.6 1.0 O A:HIS251 4.4 13.6 1.0 CB A:ASP79 4.4 9.3 1.0 CG A:HIS212 4.4 11.5 1.0 CD2 A:HIS251 4.4 14.0 1.0 CB A:ASN111 4.5 7.4 1.0 N A:ASN111 4.5 8.4 1.0 C A:HIS251 4.6 14.0 1.0 N A:HIS251 4.6 12.8 1.0 NE2 A:HIS112 4.7 10.3 1.0 O5' A:CTN603 4.8 17.8 1.0

U.A.Ramagopal, R.Toro, S.K.Burley, S.C.Almo. Putative 5'-Nucleotidase (C4898) From Escherichia Coli in Complex with Cytidine To Be Published.