登録構造単位 | A: 1,4-dihydroxy-2-naphthoyl-CoA synthase B: 1,4-dihydroxy-2-naphthoyl-CoA synthase C: 1,4-dihydroxy-2-naphthoyl-CoA synthase D: 1,4-dihydroxy-2-naphthoyl-CoA synthase E: 1,4-dihydroxy-2-naphthoyl-CoA synthase F: 1,4-dihydroxy-2-naphthoyl-CoA synthase
| 分子量 (理論値) | 分子数 |
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合計 (水以外) | 192,500 | 6 |
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ポリマ- | 192,500 | 6 |
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非ポリマー | 0 | 0 |
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水 | 26,104 | 1449 |
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1 | A: 1,4-dihydroxy-2-naphthoyl-CoA synthase B: 1,4-dihydroxy-2-naphthoyl-CoA synthase A: 1,4-dihydroxy-2-naphthoyl-CoA synthase B: 1,4-dihydroxy-2-naphthoyl-CoA synthase A: 1,4-dihydroxy-2-naphthoyl-CoA synthase B: 1,4-dihydroxy-2-naphthoyl-CoA synthase
| 分子量 (理論値) | 分子数 |
---|
合計 (水以外) | 192,500 | 6 |
---|
ポリマ- | 192,500 | 6 |
---|
非ポリマー | 0 | 0 |
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水 | 108 | 6 |
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タイプ | 名称 | 対称操作 | 数 |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_565 | -y,x-y+1,z | 1 | crystal symmetry operation | 3_455 | -x+y-1,-x,z | 1 |
Buried area | 38020 Å2 |
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ΔGint | -205 kcal/mol |
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Surface area | 48000 Å2 |
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手法 | PISA |
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|
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2 | C: 1,4-dihydroxy-2-naphthoyl-CoA synthase D: 1,4-dihydroxy-2-naphthoyl-CoA synthase C: 1,4-dihydroxy-2-naphthoyl-CoA synthase D: 1,4-dihydroxy-2-naphthoyl-CoA synthase C: 1,4-dihydroxy-2-naphthoyl-CoA synthase D: 1,4-dihydroxy-2-naphthoyl-CoA synthase
| 分子量 (理論値) | 分子数 |
---|
合計 (水以外) | 192,500 | 6 |
---|
ポリマ- | 192,500 | 6 |
---|
非ポリマー | 0 | 0 |
---|
水 | 108 | 6 |
---|
タイプ | 名称 | 対称操作 | 数 |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_565 | -y,x-y+1,z | 1 | crystal symmetry operation | 3_455 | -x+y-1,-x,z | 1 |
Buried area | 35350 Å2 |
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ΔGint | -196 kcal/mol |
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Surface area | 47620 Å2 |
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手法 | PISA |
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|
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3 | E: 1,4-dihydroxy-2-naphthoyl-CoA synthase F: 1,4-dihydroxy-2-naphthoyl-CoA synthase E: 1,4-dihydroxy-2-naphthoyl-CoA synthase F: 1,4-dihydroxy-2-naphthoyl-CoA synthase E: 1,4-dihydroxy-2-naphthoyl-CoA synthase F: 1,4-dihydroxy-2-naphthoyl-CoA synthase
| 分子量 (理論値) | 分子数 |
---|
合計 (水以外) | 192,500 | 6 |
---|
ポリマ- | 192,500 | 6 |
---|
非ポリマー | 0 | 0 |
---|
水 | 108 | 6 |
---|
タイプ | 名称 | 対称操作 | 数 |
---|
identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 2_555 | -y,x-y,z | 1 | crystal symmetry operation | 3_555 | -x+y,-x,z | 1 |
Buried area | 38070 Å2 |
---|
ΔGint | -201 kcal/mol |
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Surface area | 48050 Å2 |
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手法 | PISA |
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|
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単位格子 | Length a, b, c (Å) | 138.490, 138.490, 141.430 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 120.000 |
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Int Tables number | 150 |
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Space group name H-M | P321 |
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Components on special symmetry positions | ID | モデル | 要素 |
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1 | 1 | F-70-![](data/chem/img/ASP.gif) ASP | 2 | 1 | A-493-![](data/chem/img/HOH.gif) HOH | 3 | 1 | A-516-![](data/chem/img/HOH.gif) HOH | 4 | 1 | A-542-![](data/chem/img/HOH.gif) HOH | 5 | 1 | A-555-![](data/chem/img/HOH.gif) HOH | 6 | 1 | A-557-![](data/chem/img/HOH.gif) HOH | 7 | 1 | B-493-![](data/chem/img/HOH.gif) HOH | 8 | 1 | B-526-![](data/chem/img/HOH.gif) HOH | 9 | 1 | B-535-![](data/chem/img/HOH.gif) HOH | 10 | 1 | B-536-![](data/chem/img/HOH.gif) HOH | 11 | 1 | C-473-![](data/chem/img/HOH.gif) HOH | 12 | 1 | C-508-![](data/chem/img/HOH.gif) HOH | 13 | 1 | C-509-![](data/chem/img/HOH.gif) HOH | 14 | 1 | C-518-![](data/chem/img/HOH.gif) HOH | 15 | 1 | C-519-![](data/chem/img/HOH.gif) HOH | 16 | 1 | D-474-![](data/chem/img/HOH.gif) HOH | 17 | 1 | D-507-![](data/chem/img/HOH.gif) HOH | 18 | 1 | D-515-![](data/chem/img/HOH.gif) HOH | 19 | 1 | D-516-![](data/chem/img/HOH.gif) HOH | 20 | 1 | E-483-![](data/chem/img/HOH.gif) HOH | 21 | 1 | E-506-![](data/chem/img/HOH.gif) HOH | 22 | 1 | E-535-![](data/chem/img/HOH.gif) HOH | 23 | 1 | E-549-![](data/chem/img/HOH.gif) HOH | 24 | 1 | E-550-![](data/chem/img/HOH.gif) HOH | 25 | 1 | E-551-![](data/chem/img/HOH.gif) HOH | 26 | 1 | F-467-![](data/chem/img/HOH.gif) HOH | 27 | 1 | F-487-![](data/chem/img/HOH.gif) HOH | 28 | 1 | F-493-![](data/chem/img/HOH.gif) HOH | 29 | 1 | F-508-![](data/chem/img/HOH.gif) HOH | 30 | 1 | F-543-![](data/chem/img/HOH.gif) HOH | 31 | 1 | F-556-![](data/chem/img/HOH.gif) HOH | 32 | 1 | F-557-![](data/chem/img/HOH.gif) HOH |
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