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Calcium in PDB 7k6c: Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218

Enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218

All present enzymatic activity of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218:
1.5.1.3;

Protein crystallography data

The structure of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218, PDB code: 7k6c was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.69 / 2.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 75.63, 62.49, 124.55, 90, 94.67, 90
R / Rfree (%) 16.6 / 20.7

Calcium Binding Sites:

The binding sites of Calcium atom in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 (pdb code 7k6c). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218, PDB code: 7k6c:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in 7k6c

Go back to Calcium Binding Sites List in 7k6c
Calcium binding site 1 out of 4 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca203

b:59.5
occ:1.00
 O A:HOH326 2.3 41.4 1.0
O A:HOH343 2.4 51.5 1.0
O C:ARG58 2.6 41.2 1.0
OD2 A:ASP77 2.7 58.5 1.0
OD1 A:ASP77 2.8 54.2 1.0
CG A:ASP77 3.1 54.7 1.0
O C:GLY55 3.7 51.9 1.0
C C:ARG58 3.8 42.3 1.0
CD C:PRO59 4.3 38.5 1.0
N C:PRO59 4.5 42.9 1.0
CB A:ASP77 4.6 51.1 1.0
CA C:ARG58 4.8 35.4 1.0
O C:HOH353 4.9 44.9 1.0
C C:GLY55 4.9 49.5 1.0
N C:ARG58 4.9 33.4 1.0
O A:GLU75 5.0 62.6 1.0

Calcium binding site 2 out of 4 in 7k6c

Go back to Calcium Binding Sites List in 7k6c
Calcium binding site 2 out of 4 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca204

b:37.5
occ:1.00
 O B:HOH406 2.3 38.3 1.0
O E:ARG58 2.3 32.2 1.0
O E:GLY55 2.5 46.3 1.0
OD1 B:ASP77 2.5 28.2 1.0
OD2 B:ASP77 2.7 29.3 1.0
CG B:ASP77 2.9 25.5 1.0
C E:ARG58 3.5 35.0 1.0
C E:GLY55 3.7 48.9 1.0
O B:HOH371 4.2 40.8 1.0
N E:ARG58 4.3 36.7 1.0
CA E:ARG58 4.3 38.9 1.0
CA E:GLY55 4.4 46.5 1.0
CB E:ARG58 4.4 39.0 1.0
CB B:ASP77 4.4 23.6 1.0
N E:PRO59 4.5 30.6 1.0
CD E:PRO59 4.6 34.2 1.0
O E:HOH395 4.6 40.1 1.0
N E:SER56 4.7 43.5 1.0
O E:HOH349 4.8 33.8 1.0
CA E:SER56 4.9 47.6 1.0
C E:SER56 5.0 51.0 1.0
O B:GLU75 5.0 37.7 1.0

Calcium binding site 3 out of 4 in 7k6c

Go back to Calcium Binding Sites List in 7k6c
Calcium binding site 3 out of 4 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca205

b:30.6
occ:1.00
 O B:ARG58 2.3 23.5 1.0
O B:GLY55 2.4 31.6 1.0
OD2 E:ASP77 2.4 34.8 1.0
OD1 E:ASP77 2.5 33.9 1.0
O B:HOH424 2.5 31.4 1.0
O E:HOH407 2.5 38.4 1.0
O E:HOH322 2.6 32.1 1.0
CG E:ASP77 2.8 33.5 1.0
C B:ARG58 3.5 20.5 1.0
C B:GLY55 3.6 28.9 1.0
N B:ARG58 4.1 21.2 1.0
CA B:ARG58 4.2 19.1 1.0
CA B:GLY55 4.3 29.0 1.0
CB E:ASP77 4.3 31.4 1.0
CB B:ARG58 4.4 22.3 1.0
N B:PRO59 4.5 18.5 1.0
CD B:PRO59 4.6 24.7 1.0
N B:SER56 4.6 29.4 1.0
O B:HOH314 4.6 28.1 1.0
O B:HOH427 4.7 45.0 1.0
CA B:SER56 4.8 32.8 1.0
O E:GLU75 4.9 46.5 1.0
C B:SER56 4.9 34.1 1.0
O B:HOH310 5.0 30.7 1.0

Calcium binding site 4 out of 4 in 7k6c

Go back to Calcium Binding Sites List in 7k6c
Calcium binding site 4 out of 4 in the Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca204

b:58.0
occ:1.00
 OD1 C:ASP77 2.5 54.7 1.0
O A:GLY55 2.6 63.1 1.0
O A:ARG58 2.7 48.4 1.0
OD2 C:ASP77 3.0 64.0 1.0
CG C:ASP77 3.1 58.2 1.0
C A:ARG58 3.8 48.4 1.0
C A:GLY55 3.8 63.5 1.0
N A:ARG58 4.4 54.7 1.0
O A:HOH336 4.4 40.7 1.0
CB C:ASP77 4.6 54.5 1.0
CA A:ARG58 4.6 50.2 1.0
CD A:PRO59 4.6 43.2 1.0
CA A:SER56 4.6 63.9 1.0
N A:PRO59 4.6 44.8 1.0
N A:SER56 4.7 66.1 1.0
C A:SER56 4.7 65.8 1.0
CA A:GLY55 4.7 63.2 1.0
O A:SER56 4.9 72.0 1.0
CB A:ARG58 4.9 51.6 1.0

Reference:

J.Abendroth, V.Santhakumar, C.Walpole, D.D.Lorimer, P.S.Horanyi, T.E.Edwards. Crystal Structure of Dihydrofolate Reductase (Dhfr) From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 with Nadp and Inhibitor P218 To Be Published.
Page generated: Fri Jul 19 01:11:46 2024

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