Nickel in PDB 7jgq: Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K After One Heating/Cooling Cycle

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

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 After One Heating/Cooling Cycle:
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 After One Heating/Cooling Cycle, PDB code: 7jgq 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) 49.38 / 3.01
Space group I 4 3 2
Cell size a, b, c (Å), α, β, γ (°) 156.142, 156.142, 156.142, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 25.1

Other elements in 7jgq:

The structure of Crystal Structure of the Ni-Bound Human Heavy-Chain Variant 122H-Delta C-Star with 2,5-Furandihyrdoxamate Collected at 278K After One Heating/Cooling Cycle 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 After One Heating/Cooling Cycle (pdb code 7jgq). 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 After One Heating/Cooling Cycle, PDB code: 7jgq:
Jump to Nickel binding site number: 1; 2; 3;

Nickel binding site 1 out of 3 in 7jgq

Go back to Nickel Binding Sites List in 7jgq
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 After One Heating/Cooling Cycle


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 After One Heating/Cooling Cycle within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni202

b:72.1
occ:0.33
O12 A:V9Y201 2.0 88.8 0.2
O11 A:V9Y201 2.0 88.8 0.2
NE2 A:HIS122 2.1 63.2 1.0
C09 A:V9Y201 2.6 89.9 0.2
CE1 A:HIS122 2.6 59.6 1.0
N10 A:V9Y201 2.7 91.3 0.2
CD2 A:HIS122 3.3 51.0 1.0
ND1 A:HIS122 3.9 57.2 1.0
C08 A:V9Y201 4.1 89.6 0.2
CG A:HIS122 4.2 40.0 1.0
C07 A:V9Y201 4.9 86.2 0.2

Nickel binding site 2 out of 3 in 7jgq

Go back to Nickel Binding Sites List in 7jgq
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 After One Heating/Cooling Cycle


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 After One Heating/Cooling Cycle within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni203

b:54.1
occ:0.20
NE2 A:HIS173 2.1 40.8 1.0
CE1 A:HIS173 2.9 36.1 1.0
O A:HOH330 3.1 5.5 0.2
CD2 A:HIS173 3.3 33.0 1.0
ND1 A:HIS173 4.1 37.9 1.0
CG A:HIS173 4.3 33.5 1.0

Nickel binding site 3 out of 3 in 7jgq

Go back to Nickel Binding Sites List in 7jgq
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 After One Heating/Cooling Cycle


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 After One Heating/Cooling Cycle within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni204

b:29.5
occ:0.80
OE1 A:GLU27 2.0 21.2 1.0
OE2 A:GLU62 2.0 35.0 1.0
ND1 A:HIS65 2.0 42.6 1.0
CE1 A:HIS65 2.7 41.6 1.0
CD A:GLU62 2.8 25.4 1.0
CD A:GLU27 2.8 8.9 1.0
OE1 A:GLU62 2.9 36.0 1.0
OE2 A:GLU27 3.0 8.9 1.0
OE1 A:GLN141 3.2 57.9 1.0
CG A:HIS65 3.2 32.4 1.0
CB A:HIS65 3.8 20.9 1.0
NE2 A:HIS65 3.9 39.3 1.0
CG A:GLU62 4.2 8.6 1.0
CD2 A:HIS65 4.2 40.7 1.0
CG1 A:VAL110 4.2 19.4 1.0
CG A:GLU27 4.3 8.9 1.0
CD A:GLN141 4.4 41.5 1.0
CA A:GLU62 4.5 15.3 1.0
CB A:GLU62 4.6 8.6 1.0
OE2 A:GLU107 4.7 44.5 1.0
CB A:GLU27 4.7 8.8 1.0
NE2 A:GLN141 5.0 17.7 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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