Nickel in PDB 3lag: The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009

The structure of The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009, PDB code: 3lag was solved by K.Tan, E.Evdokimova, M.Kudritska, A.Savchenko, A.Edwards, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.98 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.871, 59.243, 65.380, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 22.1

The structure of The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Nickel atom in the The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009 (pdb code 3lag). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009, PDB code: 3lag:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in the The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni98 b:13.8 occ:1.00 O2 A:FMT100 2.0 12.8 1.0 NE2 A:HIS34 2.1 13.4 1.0 NE2 A:HIS32 2.1 10.7 1.0 O1 A:FMT100 2.1 14.4 1.0 NE2 A:HIS76 2.2 14.7 1.0 C A:FMT100 2.2 12.0 1.0 O A:HOH116 2.5 15.0 1.0 CE1 A:HIS34 2.9 11.8 1.0 CE1 A:HIS32 3.1 10.8 1.0 CD2 A:HIS32 3.1 12.0 1.0 CE1 A:HIS76 3.1 13.0 1.0 CD2 A:HIS34 3.1 11.7 1.0 CD2 A:HIS76 3.3 11.6 1.0 O A:HOH194 4.0 25.5 1.0 ND1 A:HIS34 4.1 11.6 1.0 O A:HOH183 4.1 24.3 1.0 OE2 A:GLU90 4.2 15.8 1.0 ND1 A:HIS32 4.2 10.9 1.0 CG A:HIS34 4.2 10.9 1.0 CG A:HIS32 4.2 11.2 1.0 OE1 A:GLU90 4.2 17.0 1.0 ND1 A:HIS76 4.3 12.9 1.0 O A:HOH317 4.3 21.3 1.0 CG A:HIS76 4.4 11.4 1.0 OH A:TYR38 4.4 12.3 1.0 CD A:GLU90 4.6 16.1 1.0 CG2 A:VAL78 4.7 10.6 1.0 CZ A:TYR38 4.8 10.4 1.0

Nickel binding site 2 out of 2 in the The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni98 b:10.2 occ:0.90 O1 B:FMT99 2.1 13.0 1.0 NE2 B:HIS32 2.1 10.7 1.0 NE2 B:HIS34 2.1 9.6 1.0 NE2 B:HIS76 2.1 13.5 1.0 O2 B:FMT99 2.1 13.2 1.0 C B:FMT99 2.2 11.3 1.0 O B:HOH302 2.3 12.1 1.0 CE1 B:HIS34 3.0 9.7 1.0 CE1 B:HIS32 3.0 9.9 1.0 CD2 B:HIS32 3.1 11.6 1.0 CE1 B:HIS76 3.1 12.7 1.0 CD2 B:HIS76 3.1 11.7 1.0 CD2 B:HIS34 3.2 10.2 1.0 O B:HOH164 4.0 22.8 1.0 OE1 B:GLU90 4.1 18.4 1.0 ND1 B:HIS32 4.2 10.9 1.0 ND1 B:HIS34 4.2 9.2 1.0 OE2 B:GLU90 4.2 16.6 1.0 ND1 B:HIS76 4.2 11.7 1.0 CG B:HIS32 4.2 11.4 1.0 O B:HOH154 4.2 22.0 1.0 CG B:HIS76 4.3 10.8 1.0 CG B:HIS34 4.3 9.5 1.0 O B:HOH338 4.4 21.7 1.0 OH B:TYR38 4.4 11.3 1.0 CD B:GLU90 4.5 17.5 1.0 CG2 B:VAL78 4.8 11.4 1.0 CZ B:TYR38 5.0 10.2 1.0

K.Tan, E.Evdokimova, M.Kudritska, A.Savchenko, A.Edwards, A.Joachimiak. The Crystal Structure of A Functionally Unknown Protein RPA4178 From Rhodopseudomonas Palustris CGA009 To Be Published.