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Nickel in PDB 3ugv: Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg

Protein crystallography data

The structure of Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg, PDB code: 3ugv was solved by M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 114.64 / 2.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 152.711, 152.984, 173.535, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 20.8

Other elements in 3ugv:

The structure of Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg also contains other interesting chemical elements:

Magnesium (Mg) 16 atoms
Chlorine (Cl) 3 atoms

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg (pdb code 3ugv). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg, PDB code: 3ugv:
Jump to Nickel binding site number: 1; 2;

Nickel binding site 1 out of 2 in 3ugv

Go back to Nickel Binding Sites List in 3ugv
Nickel binding site 1 out of 2 in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg


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 An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni369

b:52.1
occ:0.66
NE2 A:HIS244 2.3 49.4 1.0
NE2 C:HIS244 2.4 56.4 1.0
NE2 D:HIS244 2.4 56.1 1.0
NE2 B:HIS244 2.5 58.2 1.0
CE1 A:HIS244 3.1 51.8 1.0
CE1 C:HIS244 3.2 56.5 1.0
CD2 D:HIS244 3.2 54.1 1.0
CD2 B:HIS244 3.3 51.1 1.0
CD2 C:HIS244 3.4 52.8 1.0
CD2 A:HIS244 3.4 50.2 1.0
CE1 D:HIS244 3.5 55.6 1.0
CE1 B:HIS244 3.6 49.6 1.0
ND1 A:HIS244 4.3 56.2 1.0
ND1 C:HIS244 4.4 58.0 1.0
CG D:HIS244 4.4 51.5 1.0
CG A:HIS244 4.5 48.5 1.0
CG C:HIS244 4.5 49.5 1.0
CG B:HIS244 4.5 38.2 1.0
ND1 D:HIS244 4.5 59.6 1.0
ND1 B:HIS244 4.6 45.3 1.0

Nickel binding site 2 out of 2 in 3ugv

Go back to Nickel Binding Sites List in 3ugv
Nickel binding site 2 out of 2 in the Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg


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 An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Ni368

b:47.5
occ:0.66
NE2 H:HIS244 2.3 62.5 1.0
NE2 G:HIS244 2.4 53.2 1.0
NE2 E:HIS244 2.4 57.6 1.0
NE2 F:HIS244 2.5 55.4 1.0
CE1 E:HIS244 3.0 59.5 1.0
CE1 H:HIS244 3.0 61.1 1.0
CE1 G:HIS244 3.2 55.0 1.0
CD2 H:HIS244 3.4 58.6 1.0
CE1 F:HIS244 3.4 50.7 1.0
CD2 G:HIS244 3.4 45.1 1.0
CD2 F:HIS244 3.5 49.3 1.0
CD2 E:HIS244 3.6 48.7 1.0
ND1 H:HIS244 4.2 57.7 1.0
ND1 E:HIS244 4.2 59.0 1.0
ND1 G:HIS244 4.3 51.6 1.0
CG H:HIS244 4.4 50.5 1.0
CG G:HIS244 4.5 45.9 1.0
ND1 F:HIS244 4.5 46.1 1.0
CG E:HIS244 4.5 47.9 1.0
CG F:HIS244 4.6 47.9 1.0

Reference:

M.W.Vetting, R.Toro, R.Bhosle, S.R.Wasserman, L.L.Morisco, B.Hillerich, E.Washington, A.Scott Glenn, S.Chowdhury, B.Evans, J.Hammonds, W.D.Zencheck, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of An Enolase From Alpha Pretobacterium BAL199 (Efi Target Efi-501650) with Bound Mg To Be Published.
Page generated: Wed Oct 9 17:52:45 2024

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