Atomistry » Magnesium » PDB 1q3b-1qc1 » 1q6n
Atomistry »
  Magnesium »
    PDB 1q3b-1qc1 »
      1q6n »

Magnesium in PDB 1q6n: The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4

Enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4

All present enzymatic activity of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4:
3.1.3.48;

Protein crystallography data

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4, PDB code: 1q6n was solved by G.Scapin, S.B.Patel, J.W.Becker, Q.Wang, C.Desponts, D.Waddleton, K.Skorey, W.Cromlish, C.Bayly, M.Therien, J.Y.Gauthier, C.S.Li, C.K.Lau, C.Ramachandran, B.P.Kennedy, E.Asante-Appiah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.00 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 86.878, 88.409, 139.224, 90.00, 90.00, 90.00
R / Rfree (%) n/a / n/a

Other elements in 1q6n:

The structure of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 (pdb code 1q6n). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4, PDB code: 1q6n:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1q6n

Go back to Magnesium Binding Sites List in 1q6n
Magnesium binding site 1 out of 4 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg5000

b:45.5
occ:0.80
 O A:HOH4001 1.8 46.0 0.8
O A:HOH4006 2.1 36.1 0.8
O A:HOH4002 2.3 27.7 0.8
O A:HIS554 3.6 23.4 1.0
ND1 A:HIS554 4.3 23.2 1.0
CB A:HIS554 4.4 21.5 1.0
C A:HIS554 4.5 24.6 1.0
CA A:HIS554 4.8 23.2 1.0
CG A:HIS554 4.8 21.1 1.0

Magnesium binding site 2 out of 4 in 1q6n

Go back to Magnesium Binding Sites List in 1q6n
Magnesium binding site 2 out of 4 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg5010

b:42.8
occ:0.80
 O A:HOH4012 2.0 40.1 0.8
O A:HOH4016 2.1 27.7 0.8
O A:HOH4013 2.2 33.0 0.8
O A:HOH4015 2.3 26.6 0.8
O A:HOH2172 2.8 51.4 1.0
OE2 A:GLU661 3.9 33.3 1.0
OE2 A:GLU659 4.2 37.5 1.0
OE1 A:GLU659 4.3 40.8 1.0
NZ A:LYS641 4.6 38.0 1.0
CD A:GLU659 4.7 37.5 1.0
CD A:GLU661 4.9 34.4 1.0
CG2 A:THR668 5.0 32.9 1.0

Magnesium binding site 3 out of 4 in 1q6n

Go back to Magnesium Binding Sites List in 1q6n
Magnesium binding site 3 out of 4 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg5020

b:44.0
occ:0.80
 O B:HOH4023 1.8 33.6 0.8
O B:HOH4021 2.0 27.2 0.8
O B:HOH4022 2.2 46.0 0.8
O B:HOH4024 2.2 35.7 0.8
O B:HOH4026 2.5 25.7 0.8
O B:HIS1054 3.2 31.3 1.0
ND1 B:HIS1054 3.8 28.3 1.0
C B:HIS1054 4.2 30.3 1.0
CB B:HIS1054 4.2 29.6 1.0
CG B:HIS1054 4.5 28.6 1.0
CA B:HIS1054 4.6 30.3 1.0
CE1 B:HIS1054 4.9 28.5 1.0
O B:HOH2020 4.9 22.9 1.0

Magnesium binding site 4 out of 4 in 1q6n

Go back to Magnesium Binding Sites List in 1q6n
Magnesium binding site 4 out of 4 in the The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of The Structure of Phosphotyrosine Phosphatase 1B in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg5030

b:43.4
occ:0.50
 O B:HOH4033 2.1 26.7 0.5
O B:HOH4036 2.4 22.4 0.5
O B:HOH4032 2.8 45.5 0.5
NZ B:LYS1141 4.7 49.5 1.0
O B:HOH2035 4.8 41.2 1.0
O B:HOH2154 4.9 41.1 1.0

Reference:

G.Scapin, S.B.Patel, J.W.Becker, Q.Wang, C.Desponts, D.Waddleton, K.Skorey, W.Cromlish, C.Bayly, M.Therien, J.Y.Gauthier, C.S.Li, C.K.Lau, C.Ramachandran, B.P.Kennedy, E.Asante-Appiah. The Structural Basis For the Selectivity of Benzotriazole Inhibitors of PTP1B Biochemistry V. 42 11451 2003.
ISSN: ISSN 0006-2960
PubMed: 14516196
DOI: 10.1021/BI035098J
Page generated: Tue Aug 13 11:06:48 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy