Chemical elements
  Chlorine
    Isotopes
    Energy
    PDB 102l-183l
    PDB 184l-1ba0
    PDB 1ba1-1c6b
    PDB 1c6c-1cu2
    PDB 1cu3-1dm6
    PDB 1dp4-1edb
    PDB 1edd-1fma
    PDB 1fmv-1gkx
    PDB 1gkz-1hdx
    PDB 1hdy-1idw
    PDB 1iee-1j51
    PDB 1j5t-1k6e
    PDB 1k6i-1kwu
    PDB 1kwv-1l79
    PDB 1l7x-1ll1
    PDB 1lla-1mfq
    PDB 1mfu-1nfu
    PDB 1nfw-1o2l
    PDB 1o2m-1ogv
    PDB 1ohg-1p37
    PDB 1p3n-1pw6
    PDB 1pwm-1qov
    PDB 1qpe-1rar
    PDB 1rb6-1s63
    PDB 1s64-1sz6
    PDB 1szc-1tmx
    PDB 1tnb-1ukm
    PDB 1umn-1v47
    PDB 1v6p-1vq6
    PDB 1vq7-1wl8
    PDB 1wl9-1xcw
    PDB 1xcx-1y2h
    PDB 1y4h-1ymk
    PDB 1yml-1zhj
    PDB 1zi1-1zxv
    PDB 1zyt-2a2c
    PDB 2a2k-2ajf
    PDB 2akw-2b35
    PDB 2b3h-2bi3
    PDB 2bi4-2bup
    PDB 2bvc-2c5u
    PDB 2c5w-2cl8
    PDB 2cmw-2dm6
    PDB 2dpq-2eht
    PDB 2ei6-2f81
    PDB 2f8g-2fyr
    PDB 2fzv-2gff
    PDB 2gfg-2h1i
    PDB 2h28-2hq9
    PDB 2hqk-2i8d
    PDB 2i9f-2isa
    PDB 2ism-2j14
    PDB 2j1n-2jfr
    PDB 2jh0-2nlv
    PDB 2nmo-2o5r
    PDB 2o62-2okc
    PDB 2okd-2ovz
    PDB 2ow0-2p9a
    PDB 2p9w-2pov
    PDB 2pq7-2q6e
    PDB 2q6h-2qjb
    PDB 2qju-2qyc
    PDB 2r07-2ray
    PDB 2rb4-2uwo
    PDB 2uwp-2v7l
    PDB 2v7m-2vj3
    PDB 2vja-2vr2
    PDB 2vr4-2w0d
    PDB 2w0r-2wcz
    PDB 2wd0-2wky
    PDB 2wl2-2wta
    PDB 2wto-2x6o
    PDB 2x6t-2xgw
    PDB 2xhr-2xsh
    PDB 2xsq-2yv5
    PDB 2yve-2zir
    PDB 2zjm-3a92
    PDB 3a93-3b3p
    PDB 3b5q-3biz
    PDB 3bjn-3c2k
    PDB 3c31-3ccj
    PDB 3cck-3cl1
    PDB 3cl9-3d00
    PDB 3d02-3dcl
    PDB 3dct-3dmx
    PDB 3dmz-3e05
    PDB 3e0r-3egv
    PDB 3egz-3f0w
    PDB 3f1s-3fe2
    PDB 3fe6-3frl
    PDB 3frq-3g3g
    PDB 3g3h-3gdx
    PDB 3ge1-3gum
    PDB 3gun-3hd2
    PDB 3hd3-3hp5
    PDB 3hp9-3i2i
    PDB 3i2j-3ibs
      3i2j
      3i2k
      3i36
      3i3j
      3i3n
      3i3o
      3i3r
      3i46
      3i4d
      3i4p
      3i4v
      3i4y
      3i51
      3i55
      3i56
      3i59
      3i5w
      3i60
      3i67
      3i6d
      3i6f
      3i6h
      3i6j
      3i6y
      3i75
      3i76
      3i7d
      3i7g
      3i7r
      3i7u
      3i7w
      3i7x
      3i7y
      3i84
      3i87
      3i8o
      3i8w
      3i96
      3i9s
      3ia7
      3iac
      3iah
      3ib0
      3ib1
      3ib3
      3ibd
      3ibi
      3ibl
      3ibn
      3ibs
    PDB 3ibu-3ilj
    PDB 3ill-3iv0
    PDB 3iv1-3jy6
    PDB 3jya-3k93
    PDB 3k97-3kjq
    PDB 3kk7-3kwe
    PDB 3kwk-3l6t
    PDB 3l7i-3llx
    PDB 3lm0-3lzh
    PDB 3m07-3mdo
    PDB 3mdq-3mtc
    PDB 3mth-3n5h
    PDB 3n5j-3njo
    PDB 3nkh-3nyx
    PDB 3nz2-3ofm
    PDB 3ofz-3org
    PDB 3orj-3p69
    PDB 3p6q-3pvq
    PDB 3pw3-3rja
    PDB 3rk4-3ssh
    PDB 3ssq-3u15
    PDB 3u3g-3uzx
    PDB 3uzy-3vl7
    PDB 3vm5-4amn
    PDB 4amp-4dfj
    PDB 4dfr-4e0x
    PDB 4e1j-4eh1
    PDB 4eha-4exl
    PDB 4eze-4fyl
    PDB 4fz0-8est

Chlorine in the structure of Cocaine Esterase, Wild Type, Bound to A Dtt Adduct (pdb 3i2k)






The binding sites of Chlorine atom in the structure of Cocaine Esterase, Wild Type, Bound to A Dtt Adduct (pdb code 3i2k). This binding sites where shown with 5.0 Angstroms radius around Chlorine atom.
The 3i2k structure was solved by J.J.G.TESMER, M.R.NANCE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)20.0-1.5
Space groupP6522
a (A)105.513
b (A)105.513
c (A)222.377
alpha (°)90.00
beta (°)90.00
gamma (°)120.00
Rfactor (%)14.6
Rfree (%)15.2


Chlorine Binding Sites:

Chlorine binding site 1 out of 6 in 3i2k


Chlorine binding site 1 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 1 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp296, A: Arg297, A: Lys298, A: Arg472, A: Hoh1047, A: Hoh1292, A: Hoh1367, A: Hoh1368, A: Hoh1459,

conact list:


AtomAtomDistance (A)
ClO A:Asp2964.42
ClC A:Asp2964.90
ClN A:Arg2974.65
ClCB A:Arg2974.66
ClCD A:Arg2973.76
ClCZ A:Arg2974.58
ClC A:Arg2974.02
ClCG A:Arg2974.51
ClNE A:Arg2974.54
ClNH1 A:Arg2973.85
ClCA A:Arg2973.76
ClO A:Lys2983.59
ClO A:Lys2983.67
ClN A:Lys2983.25
ClN A:Lys2983.26
ClCB A:Lys2984.31
ClCB A:Lys2984.42
ClC A:Lys2984.32
ClC A:Lys2984.35
ClCA A:Lys2984.17
ClCA A:Lys2984.20
ClCZ A:Arg4724.37
ClNH2 A:Arg4724.54
ClNH1 A:Arg4723.30
ClO A:Hoh10473.26
ClO A:Hoh12924.42
ClO A:Hoh13673.60
ClO A:Hoh13683.32
ClO A:Hoh14593.43

interactive model:


Chlorine binding site 2 out of 6 in 3i2k


Chlorine binding site 2 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 2 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Asp18, A: Val20, A: Arg75, A: Gly82, A: Glu83, A: Hoh623, A: Hoh811, A: Hoh1020, A: Hoh1341,

conact list:


AtomAtomDistance (A)
ClOD2 A:Asp184.89
ClCG2 A:Val204.42
ClCG1 A:Val204.89
ClCD A:Arg753.64
ClCZ A:Arg754.18
ClCG A:Arg754.11
ClNE A:Arg754.35
ClNH1 A:Arg753.15
ClO A:Gly824.97
ClN A:Gly824.85
ClC A:Gly823.77
ClCA A:Gly823.49
ClO A:Glu833.98
ClN A:Glu833.06
ClCB A:Glu833.96
ClC A:Glu834.48
ClCG A:Glu834.02
ClCA A:Glu834.00
ClO A:Hoh6234.64
ClO A:Hoh8114.98
ClO A:Hoh10202.89
ClO A:Hoh13414.49

interactive model:


Chlorine binding site 3 out of 6 in 3i2k


Chlorine binding site 3 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 3 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ala302, A: Asp343, A: Glu344, A: Trp345, A: Hoh748, A: Hoh1010, A: Hoh1090, A: Hoh1461,

conact list:


AtomAtomDistance (A)
ClCB A:Ala3023.97
ClO A:Asp3434.72
ClN A:Glu3444.93
ClCB A:Glu3444.15
ClC A:Glu3443.93
ClCG A:Glu3444.67
ClCA A:Glu3443.70
ClN A:Trp3453.15
ClCB A:Trp3453.89
ClCD1 A:Trp3453.64
ClC A:Trp3454.79
ClCG A:Trp3454.15
ClCA A:Trp3454.07
ClO A:Trp3454.48
ClNE1 A:Trp3454.82
ClO A:Hoh7482.72
ClO A:Hoh10103.08
ClO A:Hoh10904.82
ClO A:Hoh14612.92

interactive model:


Chlorine binding site 4 out of 6 in 3i2k


Chlorine binding site 4 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 4 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Arg556,

conact list:


AtomAtomDistance (A)
ClCZ A:Arg5564.09
ClCZ A:Arg5564.64
ClNH2 A:Arg5563.67
ClNH2 A:Arg5564.68
ClNH1 A:Arg5563.56
ClNH1 A:Arg5564.50

interactive model:


Chlorine binding site 5 out of 6 in 3i2k


Chlorine binding site 5 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 5 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Arg178, A: Arg182, A: Hoh733, A: Hoh1449,

conact list:


AtomAtomDistance (A)
ClNH1 A:Arg1784.78
ClCZ A:Arg1824.19
ClNH2 A:Arg1823.71
ClNH1 A:Arg1823.70
ClO A:Hoh7334.46
ClO A:Hoh14493.94

interactive model:


Chlorine binding site 6 out of 6 in 3i2k


Chlorine binding site 6 out of 6 in 3i2k
Click to enlarge
stereopicture of Chlorine binding site 6 out of 6 in 3i2k
Click to enlarge
Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Chlorine in the PDB 3i2k. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Chlorine atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ile500, A: His563, A: Hoh690, A: Hoh702, A: Hoh799, A: Hoh1290, A: Hoh1439,

conact list:


AtomAtomDistance (A)
ClCB A:Ile5004.18
ClCD1 A:Ile5004.07
ClCG2 A:Ile5004.67
ClCG1 A:Ile5004.58
ClNE2 A:His5633.48
ClCD2 A:His5634.38
ClCE1 A:His5634.42
ClO A:Hoh6904.52
ClO A:Hoh7023.60
ClO A:Hoh7994.66
ClO A:Hoh12903.95
ClO A:Hoh14393.04

interactive model:




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