Deposited unit | A: Alcohol Dehydrogenase B: Alcohol Dehydrogenase C: Alcohol Dehydrogenase D: Alcohol Dehydrogenase E: Alcohol Dehydrogenase F: Alcohol Dehydrogenase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 175,582 | 15 |
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Polymers | 172,173 | 6 |
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Non-polymers | 3,409 | 9 |
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Water | 13,962 | 775 |
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1 | A: Alcohol Dehydrogenase C: Alcohol Dehydrogenase D: Alcohol Dehydrogenase F: Alcohol Dehydrogenase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 117,482 | 10 |
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Polymers | 114,782 | 4 |
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Non-polymers | 2,700 | 6 |
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Water | 72 | 4 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 20360 Å2 |
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ΔGint | -175 kcal/mol |
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Surface area | 31550 Å2 |
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Method | PISA |
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2 | B: Alcohol Dehydrogenase E: Alcohol Dehydrogenase hetero molecules B: Alcohol Dehydrogenase E: Alcohol Dehydrogenase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 116,201 | 10 |
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Polymers | 114,782 | 4 |
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Non-polymers | 1,419 | 6 |
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Water | 72 | 4 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 | crystal symmetry operation | 3_656 | -x+1,y,-z+3/2 | 1 |
Buried area | 18080 Å2 |
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ΔGint | -180 kcal/mol |
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Surface area | 31460 Å2 |
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Method | PISA |
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Unit cell | Length a, b, c (Å) | 80.731, 119.041, 348.578 |
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Angle α, β, γ (deg.) | 90.00, 90.00, 90.00 |
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Int Tables number | 20 |
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Space group name H-M | C2221 |
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Components on special symmetry positions | ID | Model | Components |
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1 | 1 | E-301-![](data/chem/img/NA.gif) NA | 2 | 1 | B-499-![](data/chem/img/HOH.gif) HOH |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | B2 | 1 | A1 | 2 | B2 | 2 | C1 | 3 | B2 | 3 | D1 | 4 | B2 | 4 | E1 | 5 | B2 | 5 | F1 | 6 | A2 | 6 | C1 | 7 | A2 | 7 | D1 | 8 | A2 | 8 | E1 | 9 | A2 | 9 | F1 | 10 | C2 | 10 | D1 | 11 | C2 | 11 | E1 | 12 | C2 | 12 | F1 | 13 | D2 | 13 | E1 | 14 | D2 | 14 | F1 | 15 | E2 | 15 | F | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
NCS domain segments: Component-ID: 0 / Refine code: 0 Dom-ID | Ens-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | METMETGLUGLUBB1 - 257 | 2 - 258 | 2 | 1 | METMETGLUGLUAA1 - 257 | 2 - 258 | 1 | 2 | METMETGLUGLUBB1 - 257 | 2 - 258 | 2 | 2 | METMETGLUGLUCC1 - 257 | 2 - 258 | 1 | 3 | METMETGLUGLUBB1 - 257 | 2 - 258 | 2 | 3 | METMETGLUGLUDD1 - 257 | 2 - 258 | 1 | 4 | METMETTYRTYRBB1 - 258 | 2 - 259 | 2 | 4 | METMETTYRTYREE1 - 258 | 2 - 259 | 1 | 5 | METMETGLUGLUBB1 - 257 | 2 - 258 | 2 | 5 | METMETGLUGLUFF1 - 257 | 2 - 258 | 1 | 6 | HISHISGLUGLUAA0 - 257 | 1 - 258 | 2 | 6 | HISHISGLUGLUCC0 - 257 | 1 - 258 | 1 | 7 | HISHISTYRTYRAA | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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