Deposited unit | A: Oxygen-insensitive NADPH nitroreductase B: Oxygen-insensitive NADPH nitroreductase C: Oxygen-insensitive NADPH nitroreductase D: Oxygen-insensitive NADPH nitroreductase E: Oxygen-insensitive NADPH nitroreductase F: Oxygen-insensitive NADPH nitroreductase G: Oxygen-insensitive NADPH nitroreductase H: Oxygen-insensitive NADPH nitroreductase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 219,375 | 20 |
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Polymers | 214,661 | 8 |
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Non-polymers | 4,714 | 12 |
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Water | 22,825 | 1267 |
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1 | A: Oxygen-insensitive NADPH nitroreductase B: Oxygen-insensitive NADPH nitroreductase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 55,110 | 6 |
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Polymers | 53,665 | 2 |
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Non-polymers | 1,444 | 4 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 12430 Å2 |
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ΔGint | -89 kcal/mol |
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Surface area | 18270 Å2 |
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2 | C: Oxygen-insensitive NADPH nitroreductase D: Oxygen-insensitive NADPH nitroreductase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 55,110 | 6 |
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Polymers | 53,665 | 2 |
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Non-polymers | 1,444 | 4 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 12440 Å2 |
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ΔGint | -87 kcal/mol |
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Surface area | 18320 Å2 |
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3 | E: Oxygen-insensitive NADPH nitroreductase F: Oxygen-insensitive NADPH nitroreductase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 54,578 | 4 |
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Polymers | 53,665 | 2 |
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Non-polymers | 913 | 2 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 11650 Å2 |
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ΔGint | -87 kcal/mol |
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Surface area | 18280 Å2 |
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4 | G: Oxygen-insensitive NADPH nitroreductase H: Oxygen-insensitive NADPH nitroreductase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 54,578 | 4 |
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Polymers | 53,665 | 2 |
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Non-polymers | 913 | 2 |
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Water | 36 | 2 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 11670 Å2 |
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ΔGint | -88 kcal/mol |
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Surface area | 18260 Å2 |
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Unit cell | Length a, b, c (Å) | 96.766, 110.757, 112.250 |
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Angle α, β, γ (deg.) | 90.000, 103.840, 90.000 |
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Int Tables number | 4 |
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Space group name H-M | P1211 |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | (CHAIN A AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))2 | 1 | (CHAIN B AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))3 | 1 | (CHAIN C AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))4 | 1 | (CHAIN D AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))5 | 1 | (CHAIN E AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))6 | 1 | (CHAIN F AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))7 | 1 | CHAIN G8 | 1 | (CHAIN H AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301)) | | | | | | | |
NCS domain segments: Ens-ID: 1 Dom-ID | Component-ID | Beg auth comp-ID | Beg label comp-ID | End auth comp-ID | End label comp-ID | Selection details | Auth asym-ID | Label asym-ID | Auth seq-ID | Label seq-ID |
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1 | 1 | METMETMETMET(CHAIN A AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))AA1 | 1 | 1 | 2 | ASPASPASPASP(CHAIN A AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))AA210 | 210 | 1 | 3 | FMNFMNFMNFMN(CHAIN A AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))AI301 | | 2 | 1 | METMETMETMET(CHAIN B AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))BB1 | 1 | 2 | 2 | ASPASPASPASP(CHAIN B AND (RESID 1 THROUGH 202 OR RESID 210 THROUGH 240 OR RESID 301))B | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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