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Potassium in PDB 3qxz: Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus

Enzymatic activity of Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus

All present enzymatic activity of Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus:
4.2.1.17; 5.3.3.8;

Protein crystallography data

The structure of Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus, PDB code: 3qxz 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) 50.00 / 1.35
Space group P 32
Cell size a, b, c (Å), α, β, γ (°) 76.170, 76.170, 122.520, 90.00, 90.00, 120.00
R / Rfree (%) 15.1 / 16.9

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus (pdb code 3qxz). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus, PDB code: 3qxz:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 3qxz

Go back to Potassium Binding Sites List in 3qxz
Potassium binding site 1 out of 4 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K262

b:12.7
occ:1.00
 O A:VAL48 2.7 13.5 1.0
O A:ASP45 2.7 16.9 1.0
O A:HOH275 2.7 23.0 1.0
O A:ASP43 2.8 12.3 1.0
O A:LEU42 2.8 13.0 1.0
OG1 A:THR95 2.9 10.8 1.0
C A:ASP43 3.4 13.2 1.0
C A:ASP45 3.7 18.8 1.0
CA A:ASP43 3.7 12.8 1.0
C A:VAL48 3.7 12.3 1.0
C A:LEU42 3.9 13.2 1.0
CB A:VAL48 4.0 14.2 1.0
C2 A:EDO266 4.0 19.4 1.0
N A:ASP45 4.1 16.9 1.0
CB A:THR95 4.1 9.9 1.0
CA A:VAL48 4.2 13.9 1.0
CG2 A:THR95 4.3 10.0 1.0
N A:ASP43 4.3 12.3 1.0
N A:VAL48 4.4 15.4 1.0
N A:ASP44 4.4 14.8 1.0
CA A:ASP45 4.4 17.8 1.0
CG1 A:VAL48 4.5 13.0 1.0
OD1 A:ASP43 4.5 12.2 1.0
O A:HOH352 4.6 23.6 1.0
N A:PRO46 4.6 19.3 1.0
C A:ASP44 4.6 16.9 1.0
O A:HOH535 4.7 29.0 1.0
CA A:PRO46 4.7 19.9 1.0
O2 A:EDO266 4.7 17.6 1.0
CB A:ASP45 4.9 18.1 1.0
C A:PRO46 4.9 19.5 1.0
N A:ARG49 4.9 11.2 1.0
C1 A:EDO266 5.0 23.3 1.0
CA A:ASP44 5.0 16.3 1.0

Potassium binding site 2 out of 4 in 3qxz

Go back to Potassium Binding Sites List in 3qxz
Potassium binding site 2 out of 4 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K263

b:19.7
occ:1.00
 O C:HOH563 2.8 23.2 1.0
O C:GLU172 2.8 11.8 1.0
O B:GLU172 2.8 12.3 1.0
O A:HOH559 2.8 24.6 1.0
O B:HOH553 2.8 18.7 1.0
O A:GLU172 2.9 13.1 1.0
C C:GLU172 4.0 9.5 1.0
C B:GLU172 4.0 9.8 1.0
C A:GLU172 4.1 11.1 1.0
O A:HOH560 4.2 19.9 1.0
O C:HOH408 4.3 18.8 1.0
O B:HOH561 4.3 38.8 1.0
O B:HOH552 4.3 15.6 1.0
CA C:THR173 4.4 8.2 1.0
CA B:THR173 4.5 9.0 1.0
CA A:THR173 4.5 9.0 1.0
O A:HOH368 4.5 13.1 1.0
O B:HOH558 4.5 15.4 1.0
O C:HOH554 4.5 14.6 1.0
C B:THR173 4.6 7.6 1.0
C C:THR173 4.6 7.7 1.0
C A:THR173 4.6 8.2 1.0
O B:HOH555 4.6 8.7 1.0
O A:HOH557 4.6 13.7 1.0
O B:THR173 4.6 9.0 1.0
O C:HOH556 4.7 9.2 1.0
N C:THR173 4.7 8.1 1.0
O A:THR173 4.7 9.3 1.0
O C:THR173 4.7 8.4 1.0
N B:THR173 4.7 8.7 1.0
N A:THR173 4.8 9.5 1.0

Potassium binding site 3 out of 4 in 3qxz

Go back to Potassium Binding Sites List in 3qxz
Potassium binding site 3 out of 4 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K262

b:11.3
occ:1.00
 O B:VAL48 2.7 11.2 1.0
O B:ASP45 2.7 14.7 1.0
O B:HOH589 2.7 16.0 1.0
O B:ASP43 2.8 11.3 1.0
O B:LEU42 2.8 10.6 1.0
OG1 B:THR95 2.9 9.7 1.0
C B:ASP43 3.4 11.0 1.0
C B:ASP45 3.7 15.7 1.0
CA B:ASP43 3.7 9.9 1.0
C B:VAL48 3.8 11.2 1.0
C B:LEU42 3.9 9.3 1.0
C1 B:EDO266 3.9 18.7 1.0
CB B:VAL48 4.0 11.6 1.0
N B:ASP45 4.1 14.0 1.0
CB B:THR95 4.1 8.2 1.0
CA B:VAL48 4.3 12.2 1.0
N B:ASP43 4.3 10.0 1.0
CG2 B:THR95 4.3 9.2 1.0
N B:VAL48 4.4 13.7 1.0
N B:ASP44 4.4 11.7 1.0
OD1 B:ASP43 4.4 10.6 1.0
CA B:ASP45 4.5 15.2 1.0
CG1 B:VAL48 4.5 11.8 1.0
O B:HOH590 4.5 32.8 1.0
O B:HOH591 4.5 17.6 1.0
N B:PRO46 4.6 16.5 1.0
C B:ASP44 4.7 14.7 1.0
CA B:PRO46 4.7 17.1 1.0
O1 B:EDO266 4.7 16.5 1.0
C2 B:EDO266 4.9 22.1 1.0
CB B:ASP45 4.9 15.2 1.0
C B:PRO46 4.9 16.9 1.0
N B:ARG49 4.9 10.2 1.0
O B:HOH593 5.0 33.2 1.0

Potassium binding site 4 out of 4 in 3qxz

Go back to Potassium Binding Sites List in 3qxz
Potassium binding site 4 out of 4 in the Crystal Structure of A Probable Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus


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 Enoyl-Coa Hydratase/Isomerase From Mycobacterium Abscessus within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K262

b:11.8
occ:1.00
 O C:VAL48 2.7 12.7 1.0
O C:ASP45 2.7 15.8 1.0
O C:HOH395 2.7 17.9 1.0
O C:ASP43 2.8 12.3 1.0
O C:LEU42 2.8 11.5 1.0
OG1 C:THR95 2.9 10.7 1.0
C C:ASP43 3.4 12.8 1.0
C C:ASP45 3.7 16.8 1.0
CA C:ASP43 3.7 11.7 1.0
C C:VAL48 3.8 11.7 1.0
C C:LEU42 3.9 11.5 1.0
CB C:VAL48 3.9 12.7 1.0
C2 C:EDO266 4.0 14.2 1.0
CB C:THR95 4.1 9.1 1.0
N C:ASP45 4.1 15.3 1.0
O C:HOH376 4.2 36.0 1.0
CG2 C:THR95 4.2 10.9 1.0
CA C:VAL48 4.2 13.2 1.0
N C:ASP43 4.3 10.8 1.0
N C:VAL48 4.4 14.0 1.0
CG1 C:VAL48 4.4 12.9 1.0
N C:ASP44 4.4 13.8 1.0
CA C:ASP45 4.4 16.1 1.0
OD1 C:ASP43 4.5 11.4 1.0
O C:HOH444 4.5 18.6 1.0
N C:PRO46 4.6 18.5 1.0
C C:ASP44 4.6 15.8 1.0
CA C:PRO46 4.6 18.4 1.0
O2 C:EDO266 4.7 14.5 1.0
C C:PRO46 4.9 18.1 1.0
CB C:ASP45 4.9 15.5 1.0
N C:ARG49 4.9 11.3 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 09:16:21 2024

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