Magnesium in PDB 7mgt: Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor

Enzymatic activity of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor

All present enzymatic activity of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor:
2.7.1.180;

Protein crystallography data

The structure of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor, PDB code: 7mgt was solved by C.A.Brautigam, R.Deka, M.V.Norgard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.84 / 1.54
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 116.483, 47.106, 57.472, 90, 102.3, 90
R / Rfree (%) 15 / 19.8

Other elements in 7mgt:

The structure of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor (pdb code 7mgt). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor, PDB code: 7mgt:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7mgt

Go back to Magnesium Binding Sites List in 7mgt
Magnesium binding site 1 out of 2 in the Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:8.5
occ:1.00
O A:ASP284 2.2 7.4 1.0
OG1 A:THR288 2.3 8.5 1.0
O1A A:ZD4403 2.3 8.7 1.0
O A:ALA162 2.3 7.6 1.0
OD1 A:ASP284 2.4 6.1 1.0
HB1 A:ALA162 3.0 8.3 1.0
C A:ASP284 3.0 6.6 1.0
HA A:ALA162 3.1 8.3 1.0
CG A:ASP284 3.2 6.8 1.0
C A:ALA162 3.2 7.5 1.0
MG A:MG402 3.3 9.1 1.0
H A:THR288 3.4 8.2 1.0
HA A:ASP284 3.4 8.2 1.0
PA A:ZD4403 3.4 9.1 1.0
CB A:THR288 3.5 6.5 1.0
CA A:ALA162 3.5 6.9 1.0
O2A A:ZD4403 3.6 12.7 1.0
HB A:THR288 3.6 7.9 1.0
CA A:ASP284 3.6 6.8 1.0
HA A:ALA285 3.7 8.2 1.0
O A:HOH586 3.7 9.0 1.0
CB A:ALA162 3.7 6.9 1.0
HB3 A:ALA287 3.8 9.8 1.0
CB A:ASP284 3.9 7.4 1.0
N A:ALA285 4.0 6.6 1.0
N A:THR288 4.0 6.8 1.0
OD2 A:ASP284 4.0 7.0 1.0
OG A:SER240 4.0 12.5 1.0
HG A:SER240 4.0 15.0 1.0
O A:HOH510 4.1 7.6 1.0
HB3 A:ASP284 4.1 8.8 1.0
O5' A:ZD4403 4.2 10.8 1.0
HB2 A:ALA162 4.2 8.3 1.0
CA A:ALA285 4.2 6.9 1.0
CA A:THR288 4.3 8.1 1.0
HA A:ILE163 4.4 7.0 1.0
HB3 A:ALA162 4.4 8.3 1.0
N A:ILE163 4.4 7.1 1.0
HE1 A:PHE97 4.5 18.1 1.0
HG21 A:THR288 4.5 11.2 1.0
HA A:THR288 4.6 9.7 1.0
CG2 A:THR288 4.6 9.3 1.0
H A:ALA285 4.7 8.0 1.0
C A:ALA285 4.7 6.4 1.0
O A:ALA285 4.7 7.4 1.0
HG11 A:VAL238 4.7 12.7 1.0
CB A:ALA287 4.7 8.1 1.0
HG12 A:VAL238 4.7 12.7 1.0
HB2 A:ASP284 4.7 8.8 1.0
H A:ALA287 4.8 9.6 1.0
O3A A:ZD4403 4.8 10.4 1.0
C A:ALA287 4.9 7.6 1.0
N A:ALA162 4.9 7.6 1.0
HG23 A:THR288 4.9 11.2 1.0
CA A:ILE163 4.9 5.8 1.0
O A:HOH547 5.0 8.5 1.0
HD1 A:PHE97 5.0 14.6 1.0
O3B A:ZD4403 5.0 12.0 1.0

Magnesium binding site 2 out of 2 in 7mgt

Go back to Magnesium Binding Sites List in 7mgt
Magnesium binding site 2 out of 2 in the Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ftp From Treponema Pallidum Bound to An Adp-Like Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:9.1
occ:1.00
O A:HOH547 2.1 8.5 1.0
O A:HOH510 2.1 7.6 1.0
O1A A:ZD4403 2.1 8.7 1.0
OD1 A:ASP284 2.1 6.1 1.0
O3B A:ZD4403 2.1 12.0 1.0
O A:HOH586 2.2 9.0 1.0
CG A:ASP284 3.1 6.8 1.0
MG A:MG401 3.3 8.5 1.0
PA A:ZD4403 3.3 9.1 1.0
PB A:ZD4403 3.3 11.4 1.0
OD2 A:ASP284 3.4 7.0 1.0
HZ1 A:LYS165 3.5 16.6 1.0
O3A A:ZD4403 3.5 10.4 1.0
HE2 A:LYS165 3.6 12.6 1.0
HG11 A:VAL238 3.8 12.7 1.0
HA A:ALA162 3.9 8.3 1.0
HZ3 A:LYS165 4.0 16.6 1.0
NZ A:LYS165 4.0 13.8 1.0
HG13 A:VAL238 4.1 12.7 1.0
O A:HOH613 4.1 17.3 1.0
HG12 A:VAL238 4.1 12.7 1.0
HG A:SER240 4.2 15.0 1.0
HB2 A:LYS165 4.2 12.2 1.0
O1B A:ZD4403 4.2 14.8 1.0
CG1 A:VAL238 4.2 10.6 1.0
O5' A:ZD4403 4.2 10.8 1.0
CE A:LYS165 4.2 10.5 1.0
HA A:ASP284 4.3 8.2 1.0
O2B A:ZD4403 4.3 14.3 1.0
O2A A:ZD4403 4.3 12.7 1.0
O A:GLY161 4.4 9.1 1.0
OD1 A:ASN191 4.4 8.8 1.0
O A:ALA162 4.4 7.6 1.0
CB A:ASP284 4.4 7.4 1.0
OG A:SER240 4.6 12.5 1.0
HE3 A:LYS165 4.6 12.6 1.0
O A:HOH516 4.6 23.4 1.0
C A:ALA162 4.7 7.5 1.0
CA A:ALA162 4.7 6.9 1.0
HB2 A:ASN191 4.8 9.0 1.0
HB2 A:ASP284 4.8 8.8 1.0
CA A:ASP284 4.8 6.8 1.0
HZ2 A:LYS165 4.8 16.6 1.0
O A:ASP284 4.9 7.4 1.0
OG1 A:THR288 4.9 8.5 1.0

Reference:

R.K.Deka, A.Deka, W.Z.Liu, M.V.Norgard, C.A.Brautigam. Inhibition of Bacterial Fmn Transferase: A Potential Avenue For Countering Antimicrobial Resistance. Protein Sci. 2021.
ISSN: ESSN 1469-896X
PubMed: 34796555
DOI: 10.1002/PRO.4241
Page generated: Fri Dec 17 10:36:17 2021

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