Atomistry » Manganese » PDB 3g0z-3hvq » 3hq1
Atomistry »
  Manganese »
    PDB 3g0z-3hvq »
      3hq1 »

Manganese in PDB 3hq1: Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+:
2.3.3.13;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+, PDB code: 3hq1 was solved by N.Koon, C.J.Squire, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.69 / 1.70
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.361, 154.803, 69.115, 90.00, 98.04, 90.00
R / Rfree (%) 17 / 20.4

Other elements in 3hq1:

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ (pdb code 3hq1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+, PDB code: 3hq1:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in 3hq1

Go back to Manganese Binding Sites List in 3hq1
Manganese binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn701

b:10.4
occ:0.65
MN A:MN701 0.0 10.4 0.7
MN A:MN701 1.8 12.6 0.3
OD2 A:ASP81 2.0 19.1 1.0
OD1 A:ASN321 2.1 15.8 1.0
NE2 A:HIS287 2.1 14.2 1.0
O A:HOH983 2.2 19.4 1.0
NE2 A:HIS285 2.3 12.1 1.0
CD2 A:HIS287 3.0 16.1 1.0
CG A:ASN321 3.0 11.8 1.0
CG A:ASP81 3.0 18.1 1.0
CE1 A:HIS287 3.2 16.5 1.0
CE1 A:HIS285 3.2 10.0 1.0
ND2 A:ASN321 3.3 10.5 1.0
CD2 A:HIS285 3.4 10.7 1.0
OD1 A:ASP81 3.5 20.4 1.0
O A:HOH683 4.1 30.9 1.0
CG A:HIS287 4.2 12.3 1.0
ND1 A:HIS287 4.2 17.6 1.0
CB A:ASP81 4.3 17.0 1.0
O A:HOH887 4.3 22.8 1.0
ND1 A:HIS285 4.4 10.7 1.0
CB A:ASN321 4.4 9.9 1.0
CG A:HIS285 4.5 7.7 1.0
O A:HOH920 4.5 17.0 1.0
O A:HOH728 4.7 11.2 1.0
CA A:ASN321 4.9 10.3 1.0

Manganese binding site 2 out of 3 in 3hq1

Go back to Manganese Binding Sites List in 3hq1
Manganese binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn701

b:12.6
occ:0.35
MN A:MN701 0.0 12.6 0.3
MN A:MN701 1.8 10.4 0.7
NE2 A:HIS287 2.4 14.2 1.0
NE2 A:HIS285 2.5 12.1 1.0
CE1 A:HIS287 2.8 16.5 1.0
OD2 A:ASP81 2.9 19.1 1.0
CD2 A:HIS285 3.3 10.7 1.0
O A:HOH983 3.3 19.4 1.0
CE1 A:HIS285 3.4 10.0 1.0
OD1 A:ASP81 3.5 20.4 1.0
CG A:ASP81 3.5 18.1 1.0
O A:HOH767 3.5 21.9 1.0
O A:HOH887 3.6 22.8 1.0
CD2 A:HIS287 3.7 16.1 1.0
OD1 A:ASN321 3.8 15.8 1.0
ND1 A:HIS287 4.1 17.6 1.0
CG A:HIS285 4.4 7.7 1.0
ND1 A:HIS285 4.4 10.7 1.0
O A:HOH768 4.5 37.8 1.0
CG A:HIS287 4.5 12.3 1.0
CG A:ASN321 4.8 11.8 1.0
O A:HOH683 4.9 30.9 1.0
CB A:ASP81 5.0 17.0 1.0
O A:HOH715 5.0 30.3 1.0

Manganese binding site 3 out of 3 in 3hq1

Go back to Manganese Binding Sites List in 3hq1
Manganese binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn702

b:12.2
occ:1.00
OD2 B:ASP81 2.1 13.8 0.5
OD2 B:ASP81 2.1 13.2 0.5
OHB B:FLC705 2.1 15.6 0.5
OB2 B:FLC705 2.1 11.0 0.5
NE2 B:HIS287 2.2 10.9 1.0
OHB B:FLC705 2.3 15.9 0.5
OB2 B:FLC705 2.3 10.3 0.5
NE2 B:HIS285 2.3 11.2 1.0
O B:HOH877 2.3 14.5 1.0
CBC B:FLC705 3.0 13.8 0.5
CBC B:FLC705 3.0 13.6 0.5
CB B:FLC705 3.0 15.0 0.5
CG B:ASP81 3.1 13.3 0.5
CE1 B:HIS287 3.1 14.7 1.0
CB B:FLC705 3.1 15.0 0.5
CD2 B:HIS285 3.2 11.4 1.0
CG B:ASP81 3.2 13.4 0.5
CD2 B:HIS287 3.3 12.0 1.0
CE1 B:HIS285 3.3 12.4 1.0
OD1 B:ASP81 3.3 14.1 0.5
CA B:FLC705 3.6 15.0 0.5
OD1 B:ASP81 3.7 14.8 0.5
ND2 B:ASN321 3.9 9.8 1.0
CA B:FLC705 4.0 15.0 0.5
OA2 B:FLC705 4.1 16.6 0.5
OG1 B:FLC705 4.1 16.9 0.5
OB1 B:FLC705 4.1 11.7 0.5
OB1 B:FLC705 4.2 12.0 0.5
CAC B:FLC705 4.2 15.6 0.5
ND1 B:HIS287 4.2 13.5 1.0
CGC B:FLC705 4.3 16.8 0.5
OA2 B:FLC705 4.3 15.2 0.5
CG B:FLC705 4.3 14.5 0.5
CG B:HIS285 4.3 8.5 1.0
CG B:FLC705 4.3 14.9 0.5
ND1 B:HIS285 4.4 8.1 1.0
CG B:HIS287 4.4 10.1 1.0
OG2 B:FLC705 4.4 16.3 0.5
CB B:ASP81 4.4 13.6 0.5
NH2 B:ARG80 4.4 17.9 1.0
CB B:ASP81 4.5 13.6 0.5
CGC B:FLC705 4.7 16.2 0.5
CAC B:FLC705 4.7 14.9 0.5
OG1 B:FLC705 4.8 16.6 0.5
CG B:ASN321 4.8 9.7 1.0
O B:HOH1001 4.8 30.9 1.0
OD1 B:ASN321 4.9 10.5 1.0

Reference:

N.Koon, C.J.Squire, E.N.Baker. Probing the Active Site of M. Tuberculosis Leua To Be Published.
Page generated: Tue Dec 15 04:10:37 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy