Iron in PDB 4elr: Ferric Binding Protein with Iron and Carbonate

The structure of Ferric Binding Protein with Iron and Carbonate, PDB code: 4elr was solved by Q.Wang, X.Q.Liu, X.Q.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.47 / 2.50
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.602, 63.602, 266.701, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 21.8

The binding sites of Iron atom in the Ferric Binding Protein with Iron and Carbonate (pdb code 4elr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ferric Binding Protein with Iron and Carbonate, PDB code: 4elr:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Ferric Binding Protein with Iron and Carbonate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ferric Binding Protein with Iron and Carbonate within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:21.5 occ:1.00 OH A:TYR162 1.8 15.1 1.0 OH A:TYR219 1.9 16.7 1.0 OH A:TYR220 1.9 17.4 1.0 O2 A:CO3402 2.2 18.9 1.0 O1 A:CO3402 2.3 22.2 1.0 C A:CO3402 2.5 19.6 1.0 CZ A:TYR220 2.8 11.9 1.0 CZ A:TYR162 3.0 13.3 1.0 CZ A:TYR219 3.0 12.6 1.0 CE2 A:TYR220 3.2 8.6 1.0 CE2 A:TYR219 3.4 9.4 1.0 CE1 A:TYR162 3.5 14.0 1.0 O3 A:CO3402 3.8 21.0 1.0 ND2 A:ASN79 4.0 14.8 1.0 CE1 A:TYR220 4.0 15.1 1.0 NH2 A:ARG120 4.1 16.9 1.0 ND2 A:ASN217 4.1 12.1 1.0 CE2 A:TYR162 4.1 12.9 1.0 CE1 A:TYR219 4.2 15.4 1.0 CD2 A:LEU34 4.3 15.1 1.0 O A:HOH608 4.3 22.4 1.0 NH1 A:ARG120 4.4 12.5 1.0 OD1 A:ASN79 4.4 25.1 1.0 CD2 A:TYR220 4.6 12.2 1.0 O A:HOH531 4.6 15.1 1.0 CG A:ASN79 4.6 18.7 1.0 CZ A:ARG120 4.6 17.7 1.0 O A:HOH513 4.7 14.8 1.0 CD2 A:TYR219 4.8 11.1 1.0 NH2 A:ARG30 4.9 12.8 1.0 CD1 A:TYR162 4.9 10.9 1.0 ND2 A:ASN199 4.9 12.8 1.0

Iron binding site 2 out of 2 in the Ferric Binding Protein with Iron and Carbonate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ferric Binding Protein with Iron and Carbonate within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:18.9 occ:1.00 OH B:TYR219 1.8 14.7 1.0 OH B:TYR162 1.8 15.2 1.0 OH B:TYR220 2.0 16.7 1.0 O3 B:CO3402 2.2 13.2 1.0 O2 B:CO3402 2.3 18.2 1.0 C B:CO3402 2.6 21.8 1.0 CZ B:TYR220 2.9 12.4 1.0 CZ B:TYR162 3.0 12.3 1.0 CZ B:TYR219 3.0 12.8 1.0 CE2 B:TYR220 3.3 10.0 1.0 CE2 B:TYR219 3.5 8.8 1.0 CE1 B:TYR162 3.5 14.7 1.0 ND2 B:ASN79 3.8 14.9 1.0 O B:HOH556 3.9 26.3 1.0 O1 B:CO3402 3.9 13.5 1.0 NH2 B:ARG120 4.0 13.1 1.0 CE1 B:TYR220 4.1 13.6 1.0 ND2 B:ASN217 4.1 11.2 1.0 CE2 B:TYR162 4.1 11.1 1.0 CE1 B:TYR219 4.2 14.0 1.0 NH1 B:ARG120 4.3 10.6 1.0 CD2 B:LEU34 4.3 14.3 1.0 O B:HOH585 4.3 18.0 1.0 OD1 B:ASN79 4.3 21.4 1.0 CG B:ASN79 4.5 18.0 1.0 CZ B:ARG120 4.5 16.6 1.0 CD2 B:TYR220 4.7 11.6 1.0 NH2 B:ARG30 4.8 12.4 1.0 CD2 B:TYR219 4.9 10.3 1.0 O B:HOH503 4.9 13.2 1.0 CD1 B:TYR162 4.9 12.0 1.0

Q.Wang, X.Q.Liu, X.Q.Wang. Crystal Structure of Ferric Binding Protein A To Be Published.