Hi, Rubben:
I use dot (.) . Heme is shown as BLK in the model. Using Chimera and
VMD, the whole molecule of heme is there, but not Fe. If I select "Fe"
from "element", no selection returns. The "Fe" is in the pdb file as
shown below:
HETATM 3620 FE BLK 455
-54.160 -1.094 -33.073
1.00999.99 1SG3621
HETATM 3621 CHA BLK 455
-55.567 -1.736 -30.032
1.00999.99 1SG3622
HETATM 3622 CHB BLK 455
-53.632 -4.396 -33.562
1.00999.99 1SG3623
HETATM 3623 CHC BLK 455
-53.011 -0.451 -36.189
1.00999.99 1SG3624
HETATM 3624 CHD BLK 455
-54.469 2.229 -32.529
1.00999.99 1SG3625
HETATM 3625 NA BLK 455
-54.569 -2.714 -32.020
1.00999.99 1SG3626
HETATM 3626 C1A BLK 455
-55.107 -2.789 -30.763
1.00999.99 1SG3627
HETATM 3627 C2A BLK 455
-55.133 -4.176 -30.354
1.00999.99 1SG3628
HETATM 3628 C3A BLK 455
-54.608 -4.886 -31.328
1.00999.99 1SG3629
HETATM 3629 C4A BLK 455
-54.246 -3.991 -32.395
1.00999.99 1SG3630
HETATM 3630 CMA BLK 455
-54.416 -6.422 -31.313
1.00999.99 1SG3631
HETATM 3631 CAA BLK 455
-55.621 -4.804 -29.030
1.00999.99 1SG3632
HETATM 3632 CBA BLK 455
-56.992 -4.376 -28.593
1.00999.99 1SG3633
HETATM 3633 CGA BLK 455
-57.255 -5.010 -27.253
1.00999.99 1SG3634
HETATM 3634 O1A BLK 455
-56.915 -4.439 -26.202
1.00999.99 1SG3635
HETATM 3635 O2A BLK 455
-57.828 -6.104 -27.233
1.00999.99 1SG3636
HETATM 3636 NB BLK 455
-53.437 -2.204 -34.573
1.00999.99 1SG3637
HETATM 3637 C1B BLK 455
-53.311 -3.583 -34.605
1.00999.99 1SG3638
HETATM 3638 C2B BLK 455
-52.782 -3.991 -35.882
1.00999.99 1SG3639
HETATM 3639 C3B BLK 455
-52.616 -2.872 -36.580
1.00999.99 1SG3640
HETATM 3640 C4B BLK 455
-53.040 -1.749 -35.784
1.00999.99 1SG3641
HETATM 3641 CMB BLK 455
-52.468 -5.428 -36.363
1.00999.99 1SG3642
HETATM 3642 CAB BLK 455
-52.091 -2.736 -38.019
1.00999.99 1SG3643
HETATM 3643 CBB BLK 455
-51.725 -3.825 -38.678
1.00999.99 1SG3644
HETATM 3644 NC BLK 455
-53.752 0.535 -34.116
1.00999.99 1SG3645
HETATM 3645 C1C BLK 455
-53.394 0.607 -35.442
1.00999.99 1SG3646
HETATM 3646 C2C BLK 455
-53.466 1.977 -35.904
1.00999.99 1SG3647
HETATM 3647 C3C BLK 455
-53.869 2.676 -34.858
1.00999.99 1SG3648
HETATM 3648 C4C BLK 455
-54.062 1.807 -33.747
1.00999.99 1SG3649
HETATM 3649 CMC BLK 455
-53.156 2.502 -37.344
1.00999.99 1SG3650
HETATM 3650 CAC BLK 455
-54.149 4.182 -34.765
1.00999.99 1SG3651
HETATM 3651 CBC BLK 455
-53.972 4.970 -35.805
1.00999.99 1SG3652
HETATM 3652 ND BLK 455
-54.923 0.052 -31.560
1.00999.99 1SG3653
HETATM 3653 C1D BLK 455
-54.874 1.432 -31.525
1.00999.99 1SG3654
HETATM 3654 C2D BLK 455
-55.330 1.916 -30.258
1.00999.99 1SG3655
HETATM 3655 C3D BLK 455
-55.681 0.681 -29.488
1.00999.99 1SG3656
HETATM 3656 C4D BLK 455
-55.392 -0.425 -30.350
1.00999.99 1SG3657
HETATM 3657 CMD BLK 455
-55.447 3.379 -29.780
1.00999.99 1SG3658
HETATM 3658 CAD BLK 455
-56.248 0.648 -28.080
1.00999.99 1SG3659
HETATM 3659 CBD BLK 455
-57.738 0.802 -28.197
1.00999.99 1SG3660
HETATM 3660 CGD BLK 455
-58.352 0.774 -26.836
1.00999.99 1SG3661
HETATM 3661 O1D BLK 455
-59.545 1.081 -26.729
1.00999.99 1SG3662
HETATM 3662 O2D BLK 455
-57.669 0.458 -25.858
1.00999.99 1SG3663
Thank you for your advice.
Bo
--- On Tue, 11/4/08, Rubben Torella <rubben.torella(a)gmail.com> wrote:
From: Rubben Torella <rubben.torella(a)gmail.com>
Subject: Heme
To: n62star(a)yahoo.com
Date: Tuesday, November 4, 2008, 1:01 AM
Hi,Bo!
What do you use in the alignment for heme?
dot (.) or (*)?
Because if you use (.), heme is considered as a block, while (*) consider heme as a co-factor.
But you see heme and you can't see iron, or you can't see anything?
I'm sorry if I don't understand your question.
Rubben Torella