Chemical elements
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    Iron Salts
    PDB 101m-1aeb
    PDB 1aed-1awd
    PDB 1awp-1beq
    PDB 1bes-1c53
    PDB 1c6o-1ci6
    PDB 1cie-1cry
    PDB 1csu-1dfx
    PDB 1dgb-1dry
    PDB 1ds1-1e08
    PDB 1e0z-1ehj
    PDB 1ehk-1f5o
    PDB 1f5p-1fnp
    PDB 1fnq-1fzi
    PDB 1g08-1gnl
    PDB 1gnt-1h43
    PDB 1h44-1hdb
    PDB 1hds-1i5u
    PDB 1i6d-1iwh
    PDB 1iwi-1jgx
    PDB 1jgy-1k2o
    PDB 1k2r-1kw6
    PDB 1kw8-1lj0
    PDB 1lj1-1m2m
    PDB 1m34-1mko
    PDB 1mkq-1mun
    PDB 1muy-1n9x
    PDB 1naz-1nx4
    PDB 1nx7-1ofe
    PDB 1off-1p3t
    PDB 1p3u-1pmb
    PDB 1po3-1qmq
    PDB 1qn0-1ra0
    PDB 1ra5-1rxg
    PDB 1ry5-1smi
    PDB 1smj-1t71
    PDB 1t85-1u8v
    PDB 1u9m-1uyu
    PDB 1uzr-1vxf
    PDB 1vxg-1wri
    PDB 1wtf-1xlq
    PDB 1xm8-1y4r
    PDB 1y4t-1ygd
    PDB 1yge-1z01
    PDB 1z02-2a9e
    PDB 2aa1-2azq
    PDB 2b0z-2boz
    PDB 2bpb-2ca3
    PDB 2ca4-2cz7
    PDB 2czs-2dyr
    PDB 2dys-2ewk
    PDB 2ewu-2fwl
    PDB 2fwt-2gl3
    PDB 2gln-2hhb
    PDB 2hhd-2ibn
    PDB 2ibz-2jb8
    PDB 2jbl-2mgh
    PDB 2mgi-2o01
    PDB 2o08-2ozy
    PDB 2p0b-2q0i
    PDB 2q0j-2r1h
    PDB 2r1k-2spm
    PDB 2spn-2vbd
    PDB 2vbp-2vzb
    PDB 2vzm-2wiv
    PDB 2wiy-2xj5
    PDB 2xj6-2ylj
    PDB 2yrs-2zon
    PDB 2zoo-3a17
    PDB 3a18-3aes
    PDB 3aet-3bnd
    PDB 3bne-3cir
    PDB 3ciu-3dax
    PDB 3dbg-3e1p
    PDB 3e1q-3eh4
    PDB 3eh5-3fll
    PDB 3fm1-3gas
    PDB 3gb4-3h57
    PDB 3h58-3hrw
    PDB 3hsn-3ir6
    PDB 3ir7-3k9y
    PDB 3k9z-3l4p
    PDB 3l61-3lxi
    PDB 3lyq-3mm8
      3lyq
      3lzd
      3m15
      3m23
      3m25
      3m26
      3m27
      3m28
      3m29
      3m2a
      3m2b
      3m2c
      3m2d
      3m2e
      3m2f
      3m2g
      3m2h
      3m2i
      3m2q
      3m2s
      3m38
      3m39
      3m3a
      3m3b
      3m4b
      3m4c
      3m5q
      3m79
      3m8m
      3m97
      3m9s
      3mao
      3mba
      3mdm
      3mdr
      3mdt
      3mdv
      3me6
      3mgu
      3mgx
      3min
      3mjn
      3mjp
      3mju
      3mk7
      3mkb
      3mm5
      3mm6
      3mm7
      3mm8
    PDB 3mm9-3n62
    PDB 3n63-3nlo
    PDB 3nlp-3o0f
    PDB 3o0r-3p6o
    PDB 3p6p-3prq
    PDB 3prr-3sel
    PDB 3sik-3una
    PDB 3unc-4blc
    PDB 4cat-4erg
    PDB 4erm-4nse
    PDB 4pah-8cat
    PDB 8cpp-9nse

Iron in the structure of Voriconazole Complex of Cytochrome P450 46A1 (pdb 3mdt)






The binding sites of Iron atom in the structure of Voriconazole Complex of Cytochrome P450 46A1 (pdb code 3mdt). This binding sites where shown with 5.0 Angstroms radius around Iron atom.
The 3mdt structure was solved by N.MAST, C.CHARVET, I.PIKULEVA, C.D.STOUT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A)92.9-2.3
Space groupI41
a (A)121.600
b (A)121.600
c (A)143.830
alpha (°)90.00
beta (°)90.00
gamma (°)90.00
Rfactor (%)22.9
Rfree (%)28.7


Iron Binding Sites:

Iron binding site 1 out of 2 in 3mdt


Iron binding site 1 out of 2 in 3mdt
Click to enlarge		stereopicture of Iron binding site 1 out of 2 in 3mdt
Click to enlarge		Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 3mdt. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: A: Ala302, A: Cys437, A: Gly439, A: Hem505, A: Vor506,

conact list:


AtomAtomDistance (A)
FeO A:Ala3024.99
FeCB A:Cys4373.50
FeSG A:Cys4372.36
FeC A:Cys4374.96
FeCA A:Cys4374.22
FeN A:Gly4394.84
FeC2D A:Hem5054.25
FeNC A:Hem5052.04
FeCHB A:Hem5053.55
FeCHC A:Hem5053.50
FeC3D A:Hem5054.25
FeNA A:Hem5052.02
FeCHA A:Hem5053.33
FeC2A A:Hem5054.26
FeC1D A:Hem5053.00
FeC4A A:Hem5053.09
FeC4B A:Hem5053.19
FeC3A A:Hem5054.29
FeC4C A:Hem5052.93
FeC2B A:Hem5054.38
FeC1C A:Hem5053.05
FeC2C A:Hem5054.15
FeND A:Hem5052.02
FeCHD A:Hem5053.34
FeC1B A:Hem5053.23
FeNB A:Hem5052.26
FeFE A:Hem5050.00
FeC3C A:Hem5054.09
FeC3B A:Hem5054.47
FeC4D A:Hem5052.98
FeC1A A:Hem5052.95
FeN8 A:Vor5061.95
FeN5 A:Vor5064.14
FeN7 A:Vor5064.08
FeC25 A:Vor5062.90
FeC21 A:Vor5063.03

interactive model:


Iron binding site 2 out of 2 in 3mdt


Iron binding site 2 out of 2 in 3mdt
Click to enlarge		stereopicture of Iron binding site 2 out of 2 in 3mdt
Click to enlarge		Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 3mdt. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere
Residues shown as a stick model or VDW spheres: B: Cys437, B: Gly439, B: Hem505, B: Vor506,

conact list:


AtomAtomDistance (A)
FeCB B:Cys4373.46
FeSG B:Cys4372.23
FeC B:Cys4375.00
FeCA B:Cys4374.22
FeN B:Gly4394.93
FeC2D B:Hem5054.25
FeNC B:Hem5052.05
FeCHB B:Hem5053.51
FeCHC B:Hem5053.56
FeC3D B:Hem5054.25
FeNA B:Hem5052.02
FeCHA B:Hem5053.39
FeC2A B:Hem5054.28
FeC1D B:Hem5052.98
FeC4A B:Hem5053.08
FeC4B B:Hem5053.22
FeC3A B:Hem5054.30
FeC4C B:Hem5052.94
FeC2B B:Hem5054.35
FeC1C B:Hem5053.06
FeC2C B:Hem5054.15
FeND B:Hem5052.02
FeCHD B:Hem5053.29
FeC1B B:Hem5053.18
FeNB B:Hem5052.25
FeFE B:Hem5050.00
FeC3C B:Hem5054.11
FeC3B B:Hem5054.47
FeC4D B:Hem5053.00
FeC1A B:Hem5052.99
FeN8 B:Vor5062.16
FeN5 B:Vor5064.28
FeN7 B:Vor5064.32
FeC25 B:Vor5063.23
FeC21 B:Vor5063.09

interactive model:
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