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Magnesium in PDB 1vrp: The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine

Enzymatic activity of The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine

All present enzymatic activity of The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine:
2.7.3.2;

Protein crystallography data

The structure of The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine, PDB code: 1vrp was solved by S.D.Lahiri, P.F.Wang, P.C.Babbitt, M.J.Mcleish, G.L.Kenyon, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.42 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 70.634, 87.189, 127.596, 90.00, 90.00, 90.00
R / Rfree (%) 24.2 / 27.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine (pdb code 1vrp). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine, PDB code: 1vrp:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 1vrp

Go back to Magnesium Binding Sites List in 1vrp
Magnesium binding site 1 out of 2 in the The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg404

b:43.1
occ:1.00
 O1A A:ADP400 2.5 24.8 1.0
O A:HOH462 2.6 46.5 1.0
O A:HOH461 2.7 30.0 1.0
O2B A:ADP400 2.7 24.8 1.0
O A:HOH459 2.7 32.8 1.0
O1B A:ADP400 2.8 22.4 1.0
O A:HOH463 3.0 33.2 1.0
PB A:ADP400 3.1 23.6 1.0
O3A A:ADP400 3.5 25.7 1.0
OE2 A:GLU232 3.6 61.7 1.0
PA A:ADP400 3.6 25.3 1.0
CZ3 A:TRP228 3.9 23.0 1.0
C5' A:ADP400 4.0 25.7 1.0
CH2 A:TRP228 4.3 20.6 1.0
CD A:GLU232 4.4 58.7 1.0
O5' A:ADP400 4.4 25.6 1.0
OE2 A:GLU231 4.4 27.9 1.0
O3B A:ADP400 4.6 24.7 1.0
NH2 A:ARG236 4.7 40.3 1.0
O2A A:ADP400 4.8 24.2 1.0
O A:HOH460 4.8 50.8 1.0
OE1 A:GLU232 4.8 61.6 1.0
OE1 A:GLU231 4.9 25.6 1.0

Magnesium binding site 2 out of 2 in 1vrp

Go back to Magnesium Binding Sites List in 1vrp
Magnesium binding site 2 out of 2 in the The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The 2.1 Structure of T. Californica Creatine Kinase Complexed with the Transition-State Analogue Complex, Adp- Mg 2+ /NO3-/Creatine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:26.5
occ:1.00
 O1B B:ADP401 2.1 27.0 1.0
O1A B:ADP401 2.3 22.0 1.0
O B:HOH475 2.4 17.4 1.0
O B:HOH474 2.4 13.2 1.0
O B:HOH484 2.5 45.3 1.0
O2 B:NO3405 2.7 33.6 1.0
O B:HOH479 2.7 43.8 1.0
PB B:ADP401 3.3 26.3 1.0
PA B:ADP401 3.5 25.5 1.0
O3A B:ADP401 3.5 26.2 1.0
N B:NO3405 3.7 36.9 1.0
O1 B:NO3405 3.9 37.1 1.0
O3B B:ADP401 4.0 28.0 1.0
CZ3 B:TRP228 4.2 15.1 1.0
NH1 B:ARG236 4.2 16.3 1.0
OE2 B:GLU231 4.3 19.1 1.0
O B:HOH411 4.3 14.7 1.0
O2B B:ADP401 4.4 29.3 1.0
O5' B:ADP401 4.4 25.2 1.0
CH2 B:TRP228 4.4 16.1 1.0
O2A B:ADP401 4.5 23.1 1.0
C5' B:ADP401 4.5 25.1 1.0
OE1 B:GLU231 4.5 17.6 1.0
O B:HOH481 4.7 26.7 1.0
NA B:IOM402 4.7 18.4 1.0
CG1 B:VAL325 4.7 16.7 1.0
CD B:GLU231 4.8 19.0 1.0
OE2 B:GLU232 4.9 34.8 1.0
NH2 B:ARG236 5.0 18.8 1.0

Reference:

S.D.Lahiri, P.F.Wang, P.C.Babbitt, M.J.Mcleish, G.L.Kenyon, K.N.Allen. The 2.1 A Structure of Torpedo Californica Creatine Kinase Complexed with the Adp-Mg(2+)-NO3(-)-Creatine Transition-State Analogue Complex Biochemistry V. 41 13861 2002.
ISSN: ISSN 0006-2960
PubMed: 12437342
DOI: 10.1021/BI026655P
Page generated: Sun Aug 10 06:18:46 2025

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