Nickel in PDB 4rr1: Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor

The structure of Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor, PDB code: 4rr1 was solved by R.T.Sauer, R.A.Grant, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	207.680, 143.060, 41.530, 90.00, 90.07, 90.00
R / Rfree (%)	18.4 / 21.7

The binding sites of Nickel atom in the Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor (pdb code 4rr1). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor, PDB code: 4rr1:

Nickel binding site 1 out of 1 in the Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Re-Refinement of Entry 1SOT, Crystal Structure of the Degs Stress Sensor within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni401 b:0.2 occ:1.00 HE2 B:HIS361 1.9 0.1 1.0 ND1 B:HIS356 2.4 85.8 1.0 NE2 B:HIS361 2.5 99.3 1.0 ND1 B:HIS359 2.5 94.3 1.0 HB3 B:HIS356 2.8 95.2 1.0 HE1 B:HIS361 2.9 0.9 1.0 CE1 B:HIS361 2.9 89.9 1.0 HB2 B:HIS359 3.1 0.9 1.0 HA B:HIS356 3.2 97.4 1.0 CG B:HIS356 3.2 77.1 1.0 CG B:HIS359 3.3 86.0 1.0 CB B:HIS356 3.3 79.4 1.0 HB3 B:HIS359 3.4 0.9 1.0 CE1 B:HIS356 3.4 83.4 1.0 CB B:HIS359 3.4 84.1 1.0 CE1 B:HIS359 3.5 89.8 1.0 CD2 B:HIS361 3.6 100.0 1.0 HE1 B:HIS356 3.7 0.1 1.0 HE1 B:HIS359 3.7 0.7 1.0 CA B:HIS356 3.8 81.2 1.0 HD2 B:HIS361 4.0 0.9 1.0 ND1 B:HIS361 4.1 90.9 1.0 HB2 B:HIS356 4.2 95.2 1.0 CD2 B:HIS356 4.4 89.3 1.0 O B:HIS356 4.4 84.2 1.0 CG B:HIS361 4.5 94.4 1.0 NE2 B:HIS356 4.5 94.7 1.0 CD2 B:HIS359 4.5 90.0 1.0 NE2 B:HIS359 4.6 92.1 1.0 C B:HIS356 4.6 77.9 1.0 N B:HIS356 4.8 72.2 1.0 CA B:HIS359 4.9 94.7 1.0

A.K.De Regt, S.Kim, J.Sohn, R.A.Grant, T.A.Baker, R.T.Sauer. A Conserved Activation Cluster Is Required For Allosteric Communication in Htra-Family Proteases. Structure 2015.
ISSN: ISSN 0969-2126
PubMed: 25703375
DOI: 10.1016/J.STR.2015.01.012