Nickel in PDB 7jgo: Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K

Enzymatic activity of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K

All present enzymatic activity of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K:
1.16.3.1;

Protein crystallography data

The structure of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K, PDB code: 7jgo was solved by J.B.Bailey, F.A.Tezcan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.36 / 3.08
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 156.082, 156.082, 156.082, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 24.8

Other elements in 7jgo:

The structure of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K also contains other interesting chemical elements:

Sodium (Na) 1 atom

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K (pdb code 7jgo). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 3 binding sites of Nickel where determined in the Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K, PDB code: 7jgo:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 7jgo

Go back to Nickel Binding Sites List in 7jgo
Nickel binding site 1 out of 3 in the Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni202

b:64.2
occ:1.00
OE2 A:GLU62 2.0 57.5 1.0
OE1 A:GLU27 2.1 46.1 1.0
ND1 A:HIS65 2.1 56.2 1.0
CE1 A:HIS65 2.8 60.0 1.0
CD A:GLU62 2.8 48.9 1.0
CD A:GLU27 2.9 34.7 1.0
OE1 A:GLU62 3.0 50.1 1.0
OE2 A:GLU27 3.0 29.1 1.0
NE2 A:GLN141 3.1 56.7 1.0
CG A:HIS65 3.2 49.5 1.0
CB A:HIS65 3.8 39.1 1.0
NE2 A:HIS65 4.0 62.4 1.0
CD2 A:HIS65 4.2 53.8 1.0
CG A:GLU62 4.2 30.6 1.0
CG A:GLU27 4.3 24.2 1.0
CG1 A:VAL110 4.3 43.2 1.0
CD A:GLN141 4.4 50.6 1.0
CA A:GLU62 4.6 35.6 1.0
CB A:GLU62 4.6 26.5 1.0
OE2 A:GLU107 4.7 51.6 1.0
CB A:GLU27 4.9 21.4 1.0

Nickel binding site 2 out of 3 in 7jgo

Go back to Nickel Binding Sites List in 7jgo
Nickel binding site 2 out of 3 in the Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni203

b:66.8
occ:0.33
O12 A:V9Y201 2.0 79.8 0.2
O11 A:V9Y201 2.0 78.0 0.2
NE2 A:HIS122 2.1 66.6 1.0
CE1 A:HIS122 2.5 72.8 1.0
C09 A:V9Y201 2.7 79.8 0.2
N10 A:V9Y201 2.7 79.5 0.2
CD2 A:HIS122 3.4 54.0 1.0
ND1 A:HIS122 3.8 71.6 1.0
C08 A:V9Y201 4.1 79.9 0.2
CG A:HIS122 4.2 48.5 1.0
C07 A:V9Y201 4.9 80.1 0.2

Nickel binding site 3 out of 3 in 7jgo

Go back to Nickel Binding Sites List in 7jgo
Nickel binding site 3 out of 3 in the Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 3 of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni204

b:44.8
occ:0.25
CE1 A:HIS173 2.3 40.8 1.0
O A:HOH315 2.4 39.3 0.2
NE2 A:HIS173 2.5 42.8 1.0
O A:HOH324 3.5 25.1 0.2
ND1 A:HIS173 3.6 48.5 1.0
CD2 A:HIS173 3.8 42.6 1.0
CG A:HIS173 4.4 38.9 1.0

Reference:

J.B.Bailey, F.A.Tezcan. Tunable and Cooperative Thermomechanical Properties of Protein-Metal-Organic Frameworks. J.Am.Chem.Soc. V. 142 17265 2020.
ISSN: ESSN 1520-5126
PubMed: 32972136
DOI: 10.1021/JACS.0C07835
Page generated: Wed Dec 16 02:00:01 2020

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