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Potassium in PDB 3r7k: Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196

Protein crystallography data

The structure of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196, PDB code: 3r7k 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) 49.52 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.250, 121.120, 172.090, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.9

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 (pdb code 3r7k). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196, PDB code: 3r7k:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 3r7k

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Potassium binding site 1 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K400

b:83.2
occ:1.00
 OG1 A:THR93 2.8 43.1 1.0
CB A:THR93 3.9 45.4 1.0
CA A:THR93 4.0 45.9 1.0
N A:THR93 4.0 46.5 1.0
CG A:PHE110 4.0 47.8 1.0
O A:SER89 4.1 51.1 1.0
CD2 A:PHE110 4.2 46.4 1.0
CD1 A:PHE110 4.3 48.0 1.0
CB A:PHE110 4.4 45.9 1.0
CD1 A:ILE96 4.4 45.1 1.0
CG2 A:THR93 4.5 43.8 1.0
SG A:CYS106 4.5 50.1 1.0
CG1 A:VAL92 4.5 48.5 1.0
CE2 A:PHE110 4.6 46.7 1.0
C A:VAL92 4.6 47.5 1.0
CB A:VAL92 4.6 48.6 1.0
CB A:CYS106 4.7 47.1 1.0
CE1 A:PHE110 4.7 49.7 1.0
CZ A:PHE110 4.8 48.4 1.0
C A:SER89 5.0 50.2 1.0

Potassium binding site 2 out of 6 in 3r7k

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Potassium binding site 2 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K401

b:53.6
occ:1.00
 O A:HOH416 2.7 5.0 1.0
O B:HOH408 2.7 2.0 1.0
OH A:TYR373 2.9 40.2 1.0
OH B:TYR373 3.1 39.4 1.0
CZ A:TYR373 3.7 39.9 1.0
O B:HOH405 3.7 5.2 1.0
CZ B:TYR373 3.7 39.5 1.0
CE1 B:TYR373 3.8 39.1 1.0
CE1 A:TYR373 3.9 39.3 1.0
OD1 A:ASN352 3.9 39.7 1.0
OD1 B:ASN352 4.3 38.7 1.0
CG A:ASN352 4.6 38.6 1.0
CG B:ASN352 4.6 37.9 1.0
CB B:ASN352 4.7 37.9 1.0
CE2 B:TYR373 4.8 40.1 1.0
CE2 A:TYR373 4.8 40.5 1.0
CD1 B:TYR373 5.0 39.5 1.0
CB A:ASN352 5.0 38.7 1.0

Potassium binding site 3 out of 6 in 3r7k

Go back to Potassium Binding Sites List in 3r7k
Potassium binding site 3 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K400

b:72.5
occ:1.00
 OG1 B:THR93 2.9 50.5 1.0
O B:SER89 3.6 57.4 1.0
CG B:PHE110 3.9 56.4 1.0
N B:THR93 3.9 53.5 1.0
CG1 B:VAL92 4.0 57.2 1.0
CD1 B:PHE110 4.0 55.9 1.0
CD2 B:PHE110 4.0 55.8 1.0
CB B:THR93 4.1 51.2 1.0
CA B:THR93 4.2 52.3 1.0
CE1 B:PHE110 4.2 59.0 1.0
CB B:VAL92 4.3 57.4 1.0
CE2 B:PHE110 4.3 56.4 1.0
CZ B:PHE110 4.3 58.8 1.0
CB B:PHE110 4.4 53.7 1.0
CD1 B:ILE96 4.6 53.4 1.0
C B:SER89 4.6 56.8 1.0
C B:VAL92 4.6 55.0 1.0
CB B:SER89 5.0 57.0 1.0

Potassium binding site 4 out of 6 in 3r7k

Go back to Potassium Binding Sites List in 3r7k
Potassium binding site 4 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K400

b:69.2
occ:1.00
 OG1 C:THR93 2.8 41.3 1.0
O C:SER89 3.6 45.6 1.0
N C:THR93 4.0 43.3 1.0
CB C:THR93 4.0 42.8 1.0
CG C:PHE110 4.1 46.8 1.0
CA C:THR93 4.1 42.8 1.0
CD1 C:PHE110 4.3 47.1 1.0
CD2 C:PHE110 4.3 47.0 1.0
CB C:PHE110 4.5 45.2 1.0
CG1 C:VAL92 4.5 43.6 1.0
CB C:VAL92 4.5 44.3 1.0
CD1 C:ILE96 4.6 41.2 1.0
C C:VAL92 4.6 43.3 1.0
CE1 C:PHE110 4.6 48.1 1.0
CE2 C:PHE110 4.6 47.1 1.0
C C:SER89 4.6 44.9 1.0
CG2 C:THR93 4.7 42.4 1.0
CZ C:PHE110 4.8 49.0 1.0
SG C:CYS106 4.9 44.9 1.0

Potassium binding site 5 out of 6 in 3r7k

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Potassium binding site 5 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K401

b:54.0
occ:1.00
 O C:HOH413 2.7 12.7 1.0
O C:HOH414 2.7 22.8 1.0
O D:HOH412 2.9 2.0 1.0
OH D:TYR373 2.9 39.9 1.0
OH C:TYR373 3.0 40.0 1.0
O C:HOH412 3.1 4.5 1.0
CZ D:TYR373 3.8 40.4 1.0
CZ C:TYR373 3.8 39.8 1.0
OD1 D:ASN352 3.9 39.5 1.0
CE1 C:TYR373 4.0 39.1 1.0
CE1 D:TYR373 4.1 40.6 1.0
OD1 C:ASN352 4.2 38.2 1.0
CG D:ASN352 4.4 39.7 1.0
CG C:ASN352 4.7 37.7 1.0
CB D:ASN352 4.8 39.7 1.0
CE2 D:TYR373 4.9 41.0 1.0
CE2 C:TYR373 4.9 40.5 1.0
CB C:ASN352 4.9 37.2 1.0

Potassium binding site 6 out of 6 in 3r7k

Go back to Potassium Binding Sites List in 3r7k
Potassium binding site 6 out of 6 in the Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystal Structure of A Probable Acyl Coa Dehydrogenase From Mycobacterium Abscessus Atcc 19977 / Dsm 44196 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K400

b:78.2
occ:1.00
 OG1 D:THR93 2.7 57.4 1.0
O D:SER89 3.7 62.7 1.0
CG D:PHE110 3.9 61.7 1.0
CB D:THR93 3.9 56.6 1.0
CD2 D:PHE110 4.0 60.5 1.0
N D:THR93 4.0 59.0 1.0
CA D:THR93 4.1 57.5 1.0
CB D:PHE110 4.3 60.4 1.0
CD1 D:PHE110 4.3 63.0 1.0
CE2 D:PHE110 4.4 63.1 1.0
SG D:CYS106 4.6 60.3 1.0
CB D:VAL92 4.6 62.4 1.0
CE1 D:PHE110 4.7 65.4 1.0
C D:VAL92 4.7 60.3 1.0
CZ D:PHE110 4.7 65.0 1.0
C D:SER89 4.8 62.6 1.0
CG2 D:THR93 4.8 52.6 1.0
CG1 D:VAL92 4.8 61.8 1.0
CD1 D:ILE96 4.8 58.8 1.0

Reference:

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler. Increasing the Structural Coverage of Tuberculosis Drug Targets. Tuberculosis (Edinb) V. 95 142 2015.
ISSN: ISSN 1472-9792
PubMed: 25613812
DOI: 10.1016/J.TUBE.2014.12.003
Page generated: Mon Aug 12 09:18:36 2024

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