Atomistry » Magnesium » PDB 2bhd-2bt1 » 2bkk
Atomistry »
  Magnesium »
    PDB 2bhd-2bt1 »
      2bkk »

Magnesium in PDB 2bkk: Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A

Enzymatic activity of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A

All present enzymatic activity of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A:
2.7.1.95;

Protein crystallography data

The structure of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A, PDB code: 2bkk was solved by A.Kohl, P.Amstutz, P.Parizek, H.K.Binz, C.Briand, G.Capitani, P.Forrer, A.Pluckthun, M.G.Grutter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.15
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.670, 98.082, 81.300, 90.00, 110.01, 90.00
R / Rfree (%) 19.9 / 26

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A (pdb code 2bkk). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A, PDB code: 2bkk:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 2bkk

Go back to Magnesium Binding Sites List in 2bkk
Magnesium binding site 1 out of 4 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1266

b:50.3
occ:1.00
 OD1 A:ASN195 1.9 48.8 1.0
O2A A:ADP1265 2.0 43.1 1.0
O A:HOH2114 2.2 52.8 1.0
OD2 A:ASP208 2.3 56.5 1.0
O1B A:ADP1265 2.5 45.4 1.0
CG A:ASN195 2.8 49.3 1.0
CG A:ASP208 2.9 46.0 1.0
CB A:ASP208 3.0 39.5 1.0
ND2 A:ASN195 3.2 47.9 1.0
PA A:ADP1265 3.3 47.0 1.0
PB A:ADP1265 3.5 53.1 1.0
O3A A:ADP1265 3.8 48.3 1.0
O3B A:ADP1265 4.0 37.1 1.0
OD1 A:ASP208 4.0 44.1 1.0
O1A A:ADP1265 4.1 45.6 1.0
OD2 A:ASP190 4.2 55.6 1.0
CB A:ASN195 4.2 52.0 1.0
O5' A:ADP1265 4.4 45.7 1.0
O A:SER194 4.5 53.5 1.0
CA A:ASP208 4.5 37.8 1.0
C5' A:ADP1265 4.5 44.2 1.0
OG A:SER194 4.6 69.8 1.0
O3' A:ADP1265 4.6 43.0 1.0
CA A:ASN195 4.7 50.6 1.0
C A:SER194 4.8 60.5 1.0
O2B A:ADP1265 4.8 51.9 1.0
N A:ASN195 4.9 53.9 1.0
CG1 A:ILE207 4.9 37.9 1.0
C3' A:ADP1265 5.0 38.6 1.0
CD1 A:ILE207 5.0 42.1 1.0
N A:ASP208 5.0 40.3 1.0
CB A:SER194 5.0 67.6 1.0

Magnesium binding site 2 out of 4 in 2bkk

Go back to Magnesium Binding Sites List in 2bkk
Magnesium binding site 2 out of 4 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1267

b:60.7
occ:1.00
 O3B A:ADP1265 2.2 37.1 1.0
OD1 A:ASP208 2.7 44.1 1.0
NH2 A:ARG211 2.8 70.6 1.0
OD2 A:ASP208 3.0 56.5 1.0
CG A:ASP208 3.3 46.0 1.0
O A:HOH2088 3.4 40.9 1.0
CZ A:ARG211 3.4 75.5 1.0
PB A:ADP1265 3.6 53.1 1.0
CB A:SER27 3.6 49.9 1.0
OG A:SER27 3.8 51.2 1.0
NH1 A:ARG211 3.9 77.8 1.0
O1B A:ADP1265 4.0 45.4 1.0
NE A:ARG211 4.2 73.1 1.0
O2B A:ADP1265 4.2 51.9 1.0
NZ A:LYS44 4.4 45.5 1.0
CD2 A:TYR55 4.5 60.6 1.0
CE2 A:TYR55 4.5 60.8 1.0
CB A:ASP208 4.8 39.5 1.0
O3A A:ADP1265 4.8 48.3 1.0
OD2 A:ASP190 5.0 55.6 1.0

Magnesium binding site 3 out of 4 in 2bkk

Go back to Magnesium Binding Sites List in 2bkk
Magnesium binding site 3 out of 4 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1266

b:65.0
occ:1.00
 O2A C:ADP1265 1.9 71.3 1.0
O C:HOH2127 2.1 65.7 1.0
OD1 C:ASN195 2.1 63.2 1.0
OD1 C:ASP208 2.3 44.2 0.5
O2B C:ADP1265 2.6 71.4 1.0
CG C:ASP208 2.8 39.5 0.5
CB C:ASP208 2.9 33.5 1.0
PA C:ADP1265 3.3 60.3 1.0
CG C:ASN195 3.3 52.0 1.0
O C:HOH2096 3.3 56.4 1.0
PB C:ADP1265 3.6 74.7 1.0
O1A C:ADP1265 3.7 62.9 1.0
O C:SER194 3.8 58.0 1.0
O3A C:ADP1265 3.9 67.8 1.0
OD2 C:ASP208 3.9 41.6 0.5
ND2 C:ASN195 3.9 49.7 1.0
O1B C:ADP1265 4.2 71.0 1.0
CA C:ASP208 4.2 31.3 1.0
MG C:MG1267 4.3 91.8 1.0
CB C:ASN195 4.4 51.8 1.0
O5' C:ADP1265 4.5 59.2 1.0
O3' C:ADP1265 4.5 51.4 1.0
CD1 C:ILE207 4.5 34.1 1.0
OD1 C:ASP190 4.5 61.8 1.0
CG1 C:ILE207 4.6 35.8 1.0
N C:ASP208 4.6 32.9 1.0
CA C:ASN195 4.6 54.0 1.0
C C:SER194 4.6 58.4 1.0
C3' C:ADP1265 4.8 47.7 1.0
O3B C:ADP1265 4.9 74.6 1.0
N C:ASN195 4.9 57.7 1.0
OG C:SER194 5.0 70.9 1.0

Magnesium binding site 4 out of 4 in 2bkk

Go back to Magnesium Binding Sites List in 2bkk
Magnesium binding site 4 out of 4 in the Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Aminoglycoside Phosphotransferase Aph (3')-Iiia in Complex with the Inhibitor AR_3A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg1267

b:91.8
occ:1.00
 O2B C:ADP1265 2.3 71.4 1.0
PB C:ADP1265 3.2 74.7 1.0
OD1 C:ASP208 3.2 44.2 0.5
O C:HOH2096 3.2 56.4 1.0
O3B C:ADP1265 3.2 74.6 1.0
O1B C:ADP1265 3.4 71.0 1.0
CE C:MET26 3.4 99.7 1.0
CB C:SER27 3.8 63.6 1.0
OD1 C:ASP190 4.0 61.8 1.0
CG C:ASP208 4.2 39.5 0.5
CB C:MET26 4.3 92.3 1.0
MG C:MG1266 4.3 65.0 1.0
O C:HOH2104 4.3 54.2 1.0
OD2 C:ASP208 4.3 41.6 0.5
O C:HOH2127 4.4 65.7 1.0
OG C:SER27 4.4 60.1 1.0
N C:SER27 4.5 71.7 1.0
O3A C:ADP1265 4.7 67.8 1.0
CG C:ASP190 4.7 59.3 1.0
SD C:MET26 4.7 99.5 1.0
CG C:MET26 4.7 95.9 1.0
OD2 C:ASP190 4.8 67.8 1.0
CA C:SER27 4.8 63.2 1.0

Reference:

A.Kohl, P.Amstutz, P.Parizek, H.K.Binz, C.Briand, G.Capitani, P.Forrer, A.Pluckthun, M.G.Grutter. Allosteric Inhibition of Aminoglycoside Phosphotransferase By A Designed Ankyrin Repeat Protein Structure V. 13 1131 2005.
ISSN: ISSN 0969-2126
PubMed: 16084385
DOI: 10.1016/J.STR.2005.04.020
Page generated: Tue Aug 13 21:55:19 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy