Deposited unit | A: Molinate hydrolase B: Molinate hydrolase C: Molinate hydrolase D: Molinate hydrolase E: Molinate hydrolase F: Molinate hydrolase G: Molinate hydrolase H: Molinate hydrolase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 437,956 | 16 |
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Polymers | 437,432 | 8 |
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Non-polymers | 523 | 8 |
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Water | 10,845 | 602 |
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1 | A: Molinate hydrolase B: Molinate hydrolase C: Molinate hydrolase D: Molinate hydrolase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 218,978 | 8 |
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Polymers | 218,716 | 4 |
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Non-polymers | 262 | 4 |
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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 | 12300 Å2 |
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ΔGint | -176 kcal/mol |
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Surface area | 59780 Å2 |
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Method | PISA |
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2 | E: Molinate hydrolase hetero molecules
F: Molinate hydrolase hetero molecules
G: Molinate hydrolase H: Molinate hydrolase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 218,978 | 8 |
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Polymers | 218,716 | 4 |
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Non-polymers | 262 | 4 |
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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 | 4_558 | -x+1/2,y+1/2,-z+3 | 1 | crystal symmetry operation | 3_455 | x-1/2,y+1/2,z | 1 |
Buried area | 12300 Å2 |
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ΔGint | -176 kcal/mol |
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Surface area | 59780 Å2 |
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Method | PISA |
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|
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3 | E: Molinate hydrolase hetero molecules
F: Molinate hydrolase hetero molecules
G: Molinate hydrolase H: Molinate hydrolase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 218,978 | 8 |
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Polymers | 218,716 | 4 |
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Non-polymers | 262 | 4 |
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Water | 72 | 4 |
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Type | Name | Symmetry operation | Number |
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crystal symmetry operation | 3_545 | x+1/2,y-1/2,z | 1 | crystal symmetry operation | 2_658 | -x+1,y,-z+3 | 1 | identity operation | 1_555 | x,y,z | 1 |
Buried area | 12310 Å2 |
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ΔGint | -171 kcal/mol |
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Surface area | 59780 Å2 |
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Method | PISA |
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4 | F: Molinate hydrolase hetero molecules
E: Molinate hydrolase hetero molecules
G: Molinate hydrolase H: Molinate hydrolase hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 218,978 | 8 |
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Polymers | 218,716 | 4 |
---|
Non-polymers | 262 | 4 |
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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 | 4_548 | -x+1/2,y-1/2,-z+3 | 1 | crystal symmetry operation | 2_658 | -x+1,y,-z+3 | 1 |
Buried area | 12310 Å2 |
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ΔGint | -171 kcal/mol |
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Surface area | 59780 Å2 |
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Method | PISA |
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Unit cell | Length a, b, c (Å) | 367.696, 99.079, 131.337 |
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Angle α, β, γ (deg.) | 90.00, 109.61, 90.00 |
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Int Tables number | 5 |
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Space group name H-M | C121 |
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Noncrystallographic symmetry (NCS) | NCS domain: ID | Ens-ID | Details |
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1 | 1 | A2 | 1 | B1 | 2 | A2 | 2 | C1 | 3 | A2 | 3 | D1 | 4 | A2 | 4 | E1 | 5 | A2 | 5 | F1 | 6 | A2 | 6 | G1 | 7 | A2 | 7 | H1 | 8 | B2 | 8 | C1 | 9 | B2 | 9 | D1 | 10 | B2 | 10 | E1 | 11 | B2 | 11 | F1 | 12 | B2 | 12 | G1 | 13 | B2 | 13 | H1 | 14 | C2 | 14 | D1 | 15 | C2 | 15 | E1 | 16 | C2 | 16 | F1 | 17 | C2 | 17 | G1 | 18 | C2 | 18 | H1 | 19 | D2 | 19 | E1 | 20 | D2 | 20 | F1 | 21 | D2 | 21 | G1 | 22 | D2 | 22 | H1 | 23 | E2 | 23 | F1 | 24 | E2 | 24 | G1 | 25 | E2 | 25 | H1 | 26 | F2 | 26 | G1 | 27 | F2 | 27 | H1 | 28 | G2 | 28 | H | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
NCS domain segments: Component-ID: _ / Beg auth comp-ID: PHE / Beg label comp-ID: PHE / End auth comp-ID: ASP / End label comp-ID: ASP / Refine code: _ / Auth seq-ID: 30 - 496 / Label seq-ID: 30 - 496 Dom-ID | Ens-ID | Auth asym-ID | Label asym-ID |
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1 | 1 | AA2 | 1 | BB1 | 2 | AA2 | 2 | CC1 | 3 | AA2 | 3 | DD1 | 4 | AA2 | 4 | EE1 | 5 | AA2 | 5 | FF1 | 6 | AA2 | 6 | GG1 | 7 | AA2 | 7 | HH1 | 8 | BB2 | 8 | CC1 | 9 | BB2 | 9 | DD1 | 10 | BB2 | 10 | EE1 | 11 | BB2 | 11 | FF1 | 12 | BB2 | 12 | GG1 | 13 | BB2 | 13 | HH1 | 14 | CC2 | 14 | DD1 | 15 | CC2 | 15 | EE1 | 16 | CC2 | 16 | FF1 | 17 | CC2 | 17 | GG1 | 18 | CC2 | 18 | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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