load H:\Term1\CreditWorks\Credit2\1NQH.pdb
script 1nqh.def
echo Protein with CO-CYANOCOBALAMIN
wireframe off
select protein
zoom 100
backbone 70
color red
select cnc
wireframe 60
color cyan
pause
echo Those protein's atoms witch near the CO-CYANOCOBALAMIN
select protein
backbone 30
select within(4.5, cnc)
wireframe 90
color cpk
select cnc
wireframe 60
color cyan
zoom 300
center cnc
select c8e
wireframe off
pause
echo Aminoacids and their atoms bonds with the CO-CYANOCOBALAMIN
select protein
backbone 20
color grey
select within(4.5, cnc)
select 89-91, 62-63, 57, 497, 229, 231, 276, 65, 243, 531, 579, 185, 67, 72, 93, 289
wireframe 50
color cpk
select cnc
color cpk
wireframe 60
select 497 and *.nh2, 65 and *.og, 531 and *.oh, 57 and *.od1, 289 and *.og1, 72 and *.nd2, cnc and (*.n62, *.o58, *.o4, *.o63, *.n40, *.o5)
cpk 200
zoom 300
rotate z 40
select 231, 276, 229, 62-63, 67, 93, 243, 579, 185, 88-91, 230
wireframe off
rotate y -25
pause
echo bond between Asparagine 57 and CO-CYANOCOBALAMIN
restrict cont_B_M, cnc
zoom 600
cpk off
center cnc and *.n62
select cnc and *.n62, 57 and *.od1
cpk 200
bond 412 4698 +
rotate y 50
select cnc and *.n62
label CO-CYANOCOBALAMIN
select 57 and *.od1
label Asparagine 57
pause
echo bond between Asparagin 72 and CO-CYANOCOBALAMIN
select cont_b_m, cnc
cpk off
label off
center cnc and *.o4
select cnc and *.o4, 72 and *.nd2
cpk 200
bond 517 4704 +
rotate z -30
select 72 and *.nd2
label Asparagin 72
rotate x -40
rotate y -100
select cnc and *.o4
label CO-CYANOCOBALAMIN
pause
echo bond between Arginine 497 and CO-CYANOCOBALAMIN
select cont_b_m, cnc
cpk off
label off
center cnc and *.o63
select cnc and *.o63, 497 and *.nh2
cpk 200
bond 3819 4697 +
rotate z -30
select 497 and *.nh2
label Arginine 497
rotate x -80
rotate y 20
select cnc and *.o63
label CO-CYANOCOBALAMIN
pause
echo bond between Serine 65 and CO-CYANOCOBALAMIN
select cont_b_m, cnc
cpk off
label off
center cnc and *.o5
select cnc and *.o5, 65 and *.og
cpk 200
bond 460 4705 +
rotate z -30
select 65 and *.og
label Serine 65
rotate x -40
rotate y 160
select cnc and *.o5
label CO-CYANOCOBALAMIN
pause
echo bond between Threonine 289 and CO-CYANOCOBALAMIN
select cont_b_m, cnc
cpk off
label off
center cnc and *.n40
select cnc and *.n40, 289 and *.og1
cpk 200
bond 2206 4664 +
rotate z -30
select 289 and *.og1
label Threonine 289
rotate x -20
rotate y 150
select cnc and *.n40
label CO-CYANOCOBALAMIN
pause
echo bond between Tyrosine 531 and CO-CYANOCOBALAMIN
select cont_b_m, cnc
cpk off
label off
center cnc and *.o58
select cnc and *.o58, 531 and *.oh
cpk 200
bond 4130 4692 +
rotate z -30
select 531 and *.oh
label Tyrosine 531
rotate x -20
rotate y 60
select cnc and *.o58
label CO-CYANOCOBALAMIN
pause
echo protein hydrophobic connection with ligand
restrict all
wireframe 30
cpk off
label off
color cpk
backbone off
script atomtypes.def
select hfall
wireframe 60
restrict within(4.5, cnc)
restrict 90, 67, 531, 229, 63
wireframe 60
select cnc
wireframe 80
color cyan
zoom 300
center cnc
rotate y 20
rotate x -100
select 531 and *.cb
label Tyrosine
select 229 and *.o
label Tyrosine
select 63 and *.ca
label Leycine
select 67 and *.n
label Phenilalanine
select 90 and *.n
label Valine
select cnc and *.n29
label CO-CYANOCOBALAMIN
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Скрипт, генерирующий данный рисунок
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