Chemical elements
  Manganese
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    PDB 117e-1cs0
    PDB 1cvn-1fbg
    PDB 1fe1-1gz9
    PDB 1gzc-1j53
    PDB 1j54-1kx3
    PDB 1kx4-1mav
    PDB 1mb0-1nvm
    PDB 1nxd-1pj2
    PDB 1pj3-1r8b
    PDB 1r8c-1tc2
    PDB 1tei-1vby
    PDB 1vew-1xid
    PDB 1xie-1za0
    PDB 1zao-2ah9
    PDB 2akw-2brl
    PDB 2bvl-2dvb
    PDB 2dvd-2g38
    PDB 2g4i-2ify
    PDB 2iie-2mnr
    PDB 2muc-2p9a
    PDB 2pal-2r21
    PDB 2r22-2vqr
    PDB 2vs3-2z87
    PDB 2zad-3bso
    PDB 3bu0-3e7b
    PDB 3e8q-3g82
    PDB 3gbc-3ilm
    PDB 3ioi-3lp0
    PDB 3lp1-3n25
    PDB 3n37-3pvb
    PDB 3py5-3tmy
    PDB 3twz-4e5f
    PDB 4e5g-8icv
    PDB 8icw-9xim
      8icw
      8icx
      8icy
      8prk
      8xia
      9ica
      9icl
      9icq
      9icr
      9ics
      9ict
      9icu
      9xia
      9xim

Manganese in the structure of X-Ray Analysis of D-Xylose Isomerase At 1.9 Angstroms: Native Enzyme in Complex With Substrate and With A Mechanism-Designed Inactivator (pdb 8xia)






The binding sites of Manganese atom in the structure of X-Ray Analysis of D-Xylose Isomerase At 1.9 Angstroms: Native Enzyme in Complex With Substrate and With A Mechanism-Designed Inactivator (pdb code 8xia). This binding sites where shown with 5.0 Angstroms radius around Manganese atom.
The 8xia structure was solved by H.L.CARRELL, J.P.GLUSKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)8.0-1.9
Space groupI222
a (A)94.200
b (A)100.200
c (A)103.200
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)n/a
Rfree (%)n/a


Manganese Binding Sites:

Manganese binding site 1 out of 2 in 8xia


Manganese binding site 1 out of 2 in 8xia
Click to enlarge
stereopicture of Manganese binding site 1 out of 2 in 8xia
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Manganese in the PDB 8xia. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Lys183, A: Glu217, A: His220, A: Asn247, A: Asp255, A: Asp257, A: Asp287, A: Xls389, A: Mn391, A: Hoh409, A: Hoh412, A: Hoh563, A: Hoh602,

conact list:


AtomAtomDistance (A)
MnCE A:Lys1834.78
MnNZ A:Lys1834.73
MnOE1 A:Glu2172.27
MnOE2 A:Glu2173.20
MnCD A:Glu2173.07
MnCG A:Glu2174.47
MnNE2 A:His2202.51
MnND1 A:His2204.57
MnCD2 A:His2203.08
MnCE1 A:His2203.66
MnCG A:His2204.32
MnND2 A:Asn2473.99
MnCB A:Asp2554.30
MnOD2 A:Asp2552.45
MnOD1 A:Asp2552.40
MnCG A:Asp2552.86
MnCB A:Asp2574.70
MnOD2 A:Asp2572.39
MnOD1 A:Asp2573.45
MnCG A:Asp2573.29
MnOD2 A:Asp2874.76
MnO5 A:Xls3893.80
MnC5 A:Xls3894.76
MnMN A:Mn3914.82
MnO A:Hoh4092.13
MnO A:Hoh4124.13
MnO A:Hoh5633.61
MnO A:Hoh6024.56

interactive model:


Manganese binding site 2 out of 2 in 8xia


Manganese binding site 2 out of 2 in 8xia
Click to enlarge
stereopicture of Manganese binding site 2 out of 2 in 8xia
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Manganese in the PDB 8xia. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Manganese atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Glu181, A: Glu217, A: His220, A: Asp245, A: Asp287, A: Xls389, A: Mn390, A: Hoh408, A: Hoh409,

conact list:


AtomAtomDistance (A)
MnOE1 A:Glu1812.25
MnOE2 A:Glu1813.36
MnCD A:Glu1813.13
MnCG A:Glu1814.46
MnOE1 A:Glu2174.30
MnCB A:Glu2174.21
MnOE2 A:Glu2172.30
MnCD A:Glu2173.43
MnCG A:Glu2174.12
MnNE2 A:His2204.46
MnND1 A:His2204.83
MnCE1 A:His2204.01
MnCB A:Asp2453.93
MnOD2 A:Asp2454.35
MnOD1 A:Asp2452.29
MnCG A:Asp2453.38
MnCB A:Asp2873.71
MnOD2 A:Asp2872.30
MnOD1 A:Asp2874.36
MnCG A:Asp2873.33
MnO5 A:Xls3892.15
MnC5 A:Xls3893.13
MnO2 A:Xls3894.92
MnC4 A:Xls3893.39
MnC3 A:Xls3892.92
MnO3 A:Xls3892.11
MnO4 A:Xls3893.68
MnC2 A:Xls3894.32
MnMN A:Mn3904.82
MnO A:Hoh4084.07
MnO A:Hoh4093.91

interactive model:




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