Nickel in PDB 1xx7: Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001

The structure of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001, PDB code: 1xx7 was solved by L.Chen, W.Tempel, J.Habel, W.Zhou, D.Nguyen, S.-H.Chang, D.Lee, L.-L.C.Kelley, B.D.Dillard, Z.-J.Liu, S.Bridger, J.C.Eneh, R.C.Hopkins, F.E.Jenney Jr, H.-S.Lee, T.Li, F.L.Poole Ii, C.Shah, F.J.Sugar, M.W.W.Adams, W.B.Arendall Iii, J.S.Richardson, D.C.Richardson, J.P.Rose, B.-C.Wang, Southeast Collaboratory For Structural Genomics (Secsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.33 / 2.26
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.073, 111.335, 125.984, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24.6

The binding sites of Nickel atom in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 (pdb code 1xx7). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 6 binding sites of Nickel where determined in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001, PDB code: 1xx7:
Jump to Nickel binding site number: 1; 2; 3; 4; 5; 6;

Nickel binding site 1 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:32.1 occ:1.00 OD1 A:ASP124 2.0 22.5 1.0 OD2 A:ASP68 2.1 26.6 1.0 NE2 A:HIS33 2.2 12.3 1.0 NE2 A:HIS67 2.3 26.1 1.0 CG A:ASP68 3.0 24.1 1.0 CG A:ASP124 3.0 20.5 1.0 CD2 A:HIS33 3.1 15.4 1.0 CD2 A:HIS67 3.2 23.4 1.0 OD1 A:ASP68 3.3 26.9 1.0 CE1 A:HIS67 3.3 25.4 1.0 CE1 A:HIS33 3.3 10.2 1.0 OD2 A:ASP124 3.5 23.9 1.0 UNK A:UNX2019 3.9 2.0 0.0 O A:HOH1038 3.9 24.1 1.0 OH A:TYR109 4.3 31.8 1.0 CG A:HIS33 4.3 11.7 1.0 CB A:ASP124 4.3 18.6 1.0 CB A:ASP68 4.3 22.5 1.0 NH2 A:ARG16 4.3 21.8 1.0 ND1 A:HIS33 4.4 12.4 1.0 CG A:HIS67 4.4 23.6 1.0 ND1 A:HIS67 4.4 24.4 1.0 CG2 A:VAL37 4.7 21.0 1.0

Nickel binding site 2 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni201 b:34.7 occ:1.00 OD1 B:ASP124 2.0 35.7 1.0 NE2 B:HIS33 2.2 19.1 1.0 OD2 B:ASP68 2.2 24.7 1.0 NE2 B:HIS67 2.4 22.8 1.0 CG B:ASP124 3.0 32.5 1.0 CG B:ASP68 3.1 23.1 1.0 CD2 B:HIS33 3.1 14.4 1.0 CD2 B:HIS67 3.1 19.3 1.0 CE1 B:HIS33 3.2 19.0 1.0 OD1 B:ASP68 3.3 27.8 1.0 CE1 B:HIS67 3.4 22.9 1.0 OD2 B:ASP124 3.5 39.6 1.0 O B:HOH1041 4.0 23.7 1.0 CB B:ASP124 4.2 31.9 1.0 NH2 B:ARG16 4.2 30.4 1.0 O B:HOH1040 4.2 28.9 1.0 CG B:HIS33 4.3 17.9 1.0 ND1 B:HIS33 4.3 20.1 1.0 CG B:HIS67 4.3 21.1 1.0 CB B:ASP68 4.4 22.3 1.0 ND1 B:HIS67 4.4 17.2 1.0 OH B:TYR109 4.5 32.1 1.0 CG2 B:VAL37 4.6 25.4 1.0 CA B:ASP124 4.9 28.3 1.0

Nickel binding site 3 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ C:Ni201 b:35.6 occ:1.00 OD1 C:ASP124 2.0 35.5 1.0 OD2 C:ASP68 2.2 34.5 1.0 NE2 C:HIS33 2.3 11.5 1.0 NE2 C:HIS67 2.4 25.0 1.0 CG C:ASP68 2.9 29.9 1.0 CD2 C:HIS33 3.1 13.8 1.0 CG C:ASP124 3.1 31.2 1.0 CD2 C:HIS67 3.2 24.3 1.0 OD1 C:ASP68 3.2 33.8 1.0 CE1 C:HIS33 3.4 12.9 1.0 CE1 C:HIS67 3.5 30.1 1.0 OD2 C:ASP124 3.7 30.9 1.0 O C:HOH1043 3.9 22.6 1.0 NH2 C:ARG16 4.1 20.7 1.0 CB C:ASP68 4.2 28.7 1.0 CG C:HIS33 4.3 16.6 1.0 CB C:ASP124 4.3 28.3 1.0 CG C:HIS67 4.4 26.2 1.0 O C:HOH1042 4.4 32.6 1.0 OH C:TYR109 4.4 36.6 1.0 ND1 C:HIS33 4.4 17.9 1.0 ND1 C:HIS67 4.5 26.2 1.0 CG2 C:VAL37 4.8 19.8 1.0

Nickel binding site 4 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 4 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ D:Ni201 b:30.8 occ:1.00 OD1 D:ASP124 2.2 34.6 1.0 OD2 D:ASP68 2.2 29.7 1.0 NE2 D:HIS33 2.3 15.3 1.0 NE2 D:HIS67 2.5 24.0 1.0 CG D:ASP68 3.0 28.8 1.0 CG D:ASP124 3.1 29.1 1.0 CD2 D:HIS33 3.1 17.2 1.0 OD1 D:ASP68 3.2 31.9 1.0 CD2 D:HIS67 3.2 17.4 1.0 CE1 D:HIS33 3.3 16.2 1.0 OD2 D:ASP124 3.4 32.4 1.0 CE1 D:HIS67 3.6 27.5 1.0 O D:HOH1052 4.0 19.8 1.0 OH D:TYR109 4.2 35.7 1.0 NH2 D:ARG16 4.2 23.8 1.0 CB D:ASP68 4.3 26.8 1.0 CG D:HIS33 4.3 18.5 1.0 ND1 D:HIS33 4.4 19.9 1.0 CB D:ASP124 4.4 27.5 1.0 CG D:HIS67 4.5 24.4 1.0 ND1 D:HIS67 4.6 22.7 1.0 CG2 D:VAL37 4.7 19.6 1.0

Nickel binding site 5 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 5 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ E:Ni201 b:34.9 occ:1.00 OD1 E:ASP124 2.0 32.8 1.0 NE2 E:HIS33 2.2 10.9 1.0 OD2 E:ASP68 2.3 30.2 1.0 NE2 E:HIS67 2.3 28.2 1.0 CD2 E:HIS33 3.0 10.2 1.0 CG E:ASP68 3.1 27.1 1.0 CG E:ASP124 3.1 27.6 1.0 CD2 E:HIS67 3.2 26.8 1.0 CE1 E:HIS33 3.2 13.5 1.0 CE1 E:HIS67 3.3 29.6 1.0 OD1 E:ASP68 3.4 32.2 1.0 OD2 E:ASP124 3.6 31.3 1.0 O E:HOH1050 4.1 26.5 1.0 CG E:HIS33 4.2 12.9 1.0 NH2 E:ARG16 4.3 21.2 1.0 ND1 E:HIS33 4.3 14.8 1.0 CG E:HIS67 4.3 25.6 1.0 CB E:ASP124 4.3 27.7 1.0 CB E:ASP68 4.3 28.0 1.0 ND1 E:HIS67 4.4 26.4 1.0 OH E:TYR109 4.4 33.9 1.0 CG2 E:VAL37 4.7 16.2 1.0 CA E:ASP124 4.9 23.7 1.0

Nickel binding site 6 out of 6 in the Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 6 of Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 within 5.0Å range: probe atom residue distance (Å) B Occ F:Ni201 b:33.7 occ:1.00 OD1 F:ASP124 2.1 31.8 1.0 NE2 F:HIS33 2.2 11.9 1.0 OD2 F:ASP68 2.2 35.4 1.0 NE2 F:HIS67 2.5 26.1 1.0 CG F:ASP68 3.0 29.6 1.0 CG F:ASP124 3.1 28.0 1.0 CD2 F:HIS33 3.1 8.7 1.0 CE1 F:HIS33 3.2 14.7 1.0 CD2 F:HIS67 3.2 22.6 1.0 OD1 F:ASP68 3.3 33.4 1.0 OD2 F:ASP124 3.4 31.1 1.0 CE1 F:HIS67 3.5 25.7 1.0 O F:HOH1051 4.0 20.2 1.0 NH2 F:ARG16 4.2 20.2 1.0 CG F:HIS33 4.3 14.7 1.0 CB F:ASP68 4.3 25.7 1.0 ND1 F:HIS33 4.3 15.4 1.0 CB F:ASP124 4.3 26.1 1.0 OH F:TYR109 4.4 35.1 1.0 CG F:HIS67 4.4 24.6 1.0 ND1 F:HIS67 4.5 25.5 1.0 CG2 F:VAL37 4.7 17.9 1.0

L.Chen, W.Tempel, J.Habel, W.Zhou, D.Nguyen, S.-H.Chang, D.Lee, L.-L.C.Kelley, B.D.Dillard, Z.-J.Liu, S.Bridger, J.C.Eneh, R.C.Hopkins, F.E.Jenney Jr, H.-S.Lee, T.Li, F.L.Poole Ii, C.Shah, F.J.Sugar, M.W.W.Adams, W.B.Arendall Iii, J.S.Richardson, D.C.Richardson, J.P.Rose, B.-C.Wang, Southeast Collaboratory For Structural Genomics. Conserved Hypothetical Protein From Pyrococcus Furiosus Pfu-403030-001 To Be Published.