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Nickel in PDB 7jgp: Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate at 318K

Enzymatic activity of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate at 318K

All present enzymatic activity of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate at 318K:
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 at 318K, PDB code: 7jgp 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) 62.91 / 6.42
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 154.100, 154.100, 154.100, 90.00, 90.00, 90.00
R / Rfree (%) 24.7 / 30.2

Other elements in 7jgp:

The structure of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate at 318K 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 at 318K (pdb code 7jgp). 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 at 318K, PDB code: 7jgp:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 7jgp

Go back to Nickel Binding Sites List in 7jgp
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 at 318K


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 at 318K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni201

b:0.2
occ:0.33
NE2 A:HIS122 2.0 0.3 1.0
CE1 A:HIS122 2.1 0.4 1.0
CD2 A:HIS122 3.3 0.1 1.0
ND1 A:HIS122 3.4 0.8 1.0
CG A:HIS122 4.0 0.6 1.0

Nickel binding site 2 out of 3 in 7jgp

Go back to Nickel Binding Sites List in 7jgp
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 at 318K


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 at 318K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni202

b:0.8
occ:1.00
OE1 A:GLU27 2.0 0.1 1.0
OE2 A:GLU62 2.0 0.9 1.0
ND1 A:HIS65 2.0 0.4 1.0
CD A:GLU62 2.5 0.4 1.0
CD A:GLU27 2.6 1.0 1.0
OE1 A:GLU62 2.7 0.8 1.0
OE2 A:GLU27 2.7 0.4 1.0
CE1 A:HIS65 2.9 0.9 1.0
CG A:HIS65 3.0 0.6 1.0
NE2 A:GLN141 3.4 0.7 1.0
CB A:HIS65 3.5 0.6 1.0
CG A:GLU62 3.8 0.6 1.0
CA A:GLU62 3.9 0.8 1.0
NE2 A:HIS65 4.0 0.2 1.0
CG A:GLU27 4.1 0.2 1.0
CB A:GLU62 4.1 0.6 1.0
CD2 A:HIS65 4.1 0.5 1.0
CD A:GLN141 4.5 0.8 1.0
CB A:GLU27 4.7 0.8 1.0
N A:GLU62 4.7 0.3 1.0
O A:GLU62 4.8 0.2 1.0
O A:GLU61 4.8 0.5 1.0
CG1 A:VAL110 4.8 0.1 1.0
C A:GLU62 4.9 0.4 1.0
OE1 A:GLN141 4.9 0.9 1.0
CA A:HIS65 5.0 0.5 1.0

Nickel binding site 3 out of 3 in 7jgp

Go back to Nickel Binding Sites List in 7jgp
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 at 318K


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 at 318K within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni203

b:0.6
occ:0.15
CE1 A:HIS173 2.4 0.2 1.0
NE2 A:HIS173 2.7 0.2 1.0
ND1 A:HIS173 3.7 0.7 1.0
CD2 A:HIS173 4.1 0.1 1.0
CG A:HIS173 4.6 0.7 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 02:00:02 2020

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