Atomistry » Calcium » PDB 9bi0-9ctr » 9bs2
Atomistry »
  Calcium »
    PDB 9bi0-9ctr »
      9bs2 »

Calcium in PDB 9bs2: Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution

Enzymatic activity of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution

All present enzymatic activity of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution:
3.2.2.31;

Protein crystallography data

The structure of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution, PDB code: 9bs2 was solved by C.H.Trasvina-Arenas, N.Tamayo, W.J.Lin, M.Demir, A.J.Fisher, S.S.David, M.P.Horvath, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.00 / 1.51
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 37.5, 86, 140.64, 90, 90, 90
R / Rfree (%) 20.6 / 23

Other elements in 9bs2:

The structure of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution also contains other interesting chemical elements:

Iron (Fe) 8 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution (pdb code 9bs2). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution, PDB code: 9bs2:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 9bs2

Go back to Calcium Binding Sites List in 9bs2
Calcium binding site 1 out of 3 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca403

b:26.0
occ:1.00
O C:HOH108 2.3 29.4 1.0
OD1 A:ASN146 2.3 21.2 1.0
O A:HOH576 2.3 23.4 1.0
O C:HOH111 2.4 28.8 1.0
O A:HOH590 2.4 30.2 1.0
O C:HOH110 2.4 19.9 1.0
O A:GLY194 2.8 25.5 1.0
HA A:ALA195 3.2 26.1 1.0
H5'' C:DA17 3.4 32.2 1.0
CG A:ASN146 3.4 19.9 1.0
HD3 A:PRO200 3.4 37.5 1.0
C A:GLY194 3.6 21.0 1.0
HA A:ASN146 3.6 22.7 1.0
OP1 C:DA17 3.9 34.0 1.0
HD21 A:ASN146 4.0 25.4 1.0
HA A:THR199 4.0 37.0 1.0
CA A:ALA195 4.0 21.7 1.0
N A:ALA195 4.1 23.1 1.0
ND2 A:ASN146 4.1 21.2 1.0
C5' C:DA17 4.3 26.9 1.0
HA3 A:GLY194 4.3 32.8 1.0
CD A:PRO200 4.4 31.3 1.0
CB A:ASN146 4.4 20.9 1.0
CA A:ASN146 4.4 18.9 1.0
OP2 C:3DR18 4.4 25.1 1.0
CA A:GLY194 4.5 27.3 1.0
HG3 A:PRO200 4.5 38.0 1.0
OE1 A:GLN149 4.5 33.3 1.0
O5' C:DA17 4.6 40.0 1.0
O A:HOH665 4.6 40.0 1.0
HB3 A:ASN146 4.6 25.0 1.0
HG22 A:THR199 4.6 36.5 1.0
H3' C:DA17 4.7 31.7 1.0
O A:CYS198 4.7 30.7 1.0
HD2 A:PRO200 4.7 37.5 1.0
HA2 A:GLY194 4.7 32.8 1.0
H5' C:DA17 4.8 32.2 1.0
H A:ALA195 4.8 27.7 1.0
C A:ALA195 4.8 21.9 1.0
O A:ALA195 4.9 24.6 1.0
CG A:PRO200 4.9 31.7 1.0
N A:ASN146 4.9 20.5 1.0
HD22 A:ASN146 4.9 25.4 1.0
O A:HOH633 4.9 22.3 1.0
HG2 A:PRO200 5.0 38.0 1.0
P C:DA17 5.0 40.3 1.0
HB2 A:ALA195 5.0 24.7 1.0
O A:HOH597 5.0 30.8 1.0

Calcium binding site 2 out of 3 in 9bs2

Go back to Calcium Binding Sites List in 9bs2
Calcium binding site 2 out of 3 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca404

b:29.4
occ:1.00
O C:HOH106 2.2 41.7 1.0
O A:HOH575 2.2 36.7 1.0
O A:HOH638 2.3 32.6 1.0
O A:VAL123 2.3 26.8 1.0
O A:SER118 2.4 31.7 1.0
OG A:SER118 2.5 36.7 1.0
O A:HOH578 2.5 25.6 1.0
HA2 A:GLY124 3.3 24.8 1.0
C A:SER118 3.3 39.2 1.0
HA A:SER118 3.4 34.9 1.0
C A:VAL123 3.5 35.1 1.0
CB A:SER118 3.6 41.5 1.0
CA A:SER118 3.7 29.1 1.0
HB3 A:SER118 4.0 49.8 1.0
HB A:VAL123 4.1 35.1 1.0
CA A:GLY124 4.1 20.7 1.0
OP2 C:DC21 4.2 28.0 1.0
N A:GLY124 4.3 23.3 1.0
HB2 A:SER118 4.3 49.8 1.0
HG12 A:VAL123 4.4 35.7 1.0
N A:ARG119 4.5 30.3 1.0
O A:HOH640 4.6 41.1 1.0
O A:LEU120 4.6 29.7 1.0
H A:VAL123 4.6 29.7 1.0
CA A:VAL123 4.6 23.5 1.0
HA A:ARG119 4.6 51.0 1.0
O C:HOH136 4.6 39.0 1.0
CB A:VAL123 4.7 29.3 1.0
HA3 A:GLY124 4.8 24.8 1.0
HG23 A:VAL128 4.8 41.7 1.0
C A:GLY124 4.8 26.9 1.0
OP1 C:DC21 4.8 29.1 1.0
N A:VAL123 4.9 24.8 1.0
HD3 A:PRO125 4.9 32.5 1.0
P C:DC21 5.0 25.4 1.0
CA A:ARG119 5.0 42.5 1.0

Calcium binding site 3 out of 3 in 9bs2

Go back to Calcium Binding Sites List in 9bs2
Calcium binding site 3 out of 3 in the Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Glycosylase Muty Variant R149Q in Complex with Dna Containing D(8-Oxo- G) Paired with A Product Analog (Thf) to 1.51 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca405

b:59.1
occ:0.50
OG1 A:THR259 2.1 61.6 1.0
OD1 A:ASP257 2.3 61.5 1.0
O A:HOH659 2.5 51.1 1.0
CG A:ASP257 2.9 61.1 1.0
O A:THR259 3.0 63.1 1.0
OD2 A:ASP257 3.0 69.6 1.0
CB A:THR259 3.5 62.4 1.0
HG23 A:THR259 3.9 68.5 1.0
C A:THR259 3.9 52.2 1.0
H A:THR259 4.1 60.1 1.0
HB A:THR259 4.1 74.8 1.0
CG2 A:THR259 4.2 57.1 1.0
CB A:ASP257 4.2 54.0 1.0
CA A:THR259 4.2 61.7 1.0
HB2 A:ASP257 4.2 64.7 1.0
HG21 A:THR259 4.3 68.5 1.0
O A:HOH535 4.5 37.2 1.0
N A:THR259 4.6 50.1 1.0
O A:HOH562 4.7 41.0 1.0
HB3 A:ASP257 4.7 64.7 1.0
HA3 A:GLY260 4.8 48.4 1.0

Reference:

C.H.Trasvina-Arenas, U.C.Dissanayake, N.Tamayo, S.M.Hashemian, W.J.Lin, M.Demir, N.Hoyos-Gonzalez, A.J.Fisher, G.A.Cisneros, M.P.Horvath, S.S.David. Structural and Functional Profiling of Mutyh Cancer-Associated Variants Reveal An Allosteric Role For Its [4FE-4S] Cluster Cofactor To Be Published.
Page generated: Thu Jul 10 09:02:44 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy