Описание пространственной структуры LOLB_ECOLI по данным банка PDB, код 1iwn

Голубым цветом изображена основная цепь белка
красными шариками 12 атомов лиганда PG-5
желтыми шариками SO₄
маленькими голубыми - вода


load H:\term1\CreditWorks\Credit2\1iwn.pdb
script H:\term1\CreditWorks\Credit2\1iwn.def
background white
restrict [pg5]
color red
cpk 150
color label black
select 201 AND *.O4
LABEL PG5

pause                      

select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
spacefill
SELECT AA1
color [0,128,64] 
select 114 AND *.CG
label AA

pause                      

restrict cont_B_M
color blue
spacefill
select [pg5]
color red
cpk 150
select 201 AND *.O4
LABEL PG5
select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
SELECT aa1 
color [0,128,64]
select 114 AND *.CG
label AA

pause

restrict cont_B_M
spacefill 
color blue
select [pg5]
color red
spacefill
select 201 AND *.O4
LABEL PG5
select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
SELECT aa1 
color [0,128,64]
select 114 AND *.CG
label AA

pause

 restrict cont_B_M
spacefill off
wireframe 100
color blue
select [pg5]
color red
cpk 150
select 201 AND *.O4
LABEL PG5
select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
SELECT aa1 
color [0,128,64]
select 114 AND *.CG
label AA
              
pause

select *a
backbone 100
color cyan
color label black
select ASN147 AND *.CA
label CHAIN A
select [pg5]
color red
spacefill
select 201 AND *.O4
LABEL PG5
select cont_B_M
spacefill
color blue
select water
cpk 50
color blue
select [so4]
cpk 150
color yellow
select 192 and *.o1
label SO4
select 191 and *.s
label SO4
select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
SELECT aa1 
color [0,128,64]
select 114 AND *.CG
label AA

pause

select *a
backbone 100
color cyan
color label black
select ASN147 AND *.CA
label CHAIN A
select [pg5]
color red
cpk 150
select 201 AND *.O4
LABEL PG5
select cont_B_M 
spacefill off   
wireframe 100
color blue
select water
cpk 50
color blue
select [so4]
cpk 150
color yellow
select 192 and *.o1
label SO4
select 191 and *.s
label SO4
select within (4.5,[pg5]) and (not [pg5])
color [255,0,255]
SELECT aa1 
color [0,128,64]
select 114 AND *.CG
label AA

pause

select all
wireframe 45

Представленный cкрипт предназначен для
демонстрации взаимодействия молекулы
белка lolb_ecoli и молекулы PG-5.