Deposited unit | A: YpdA family putative bacillithiol disulfide reductase Bdr B: YpdA family putative bacillithiol disulfide reductase Bdr C: YpdA family putative bacillithiol disulfide reductase Bdr D: YpdA family putative bacillithiol disulfide reductase Bdr E: YpdA family putative bacillithiol disulfide reductase Bdr F: YpdA family putative bacillithiol disulfide reductase Bdr G: YpdA family putative bacillithiol disulfide reductase Bdr H: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 302,726 | 19 |
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Polymers | 294,211 | 8 |
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Non-polymers | 8,515 | 11 |
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Water | 468 | 26 |
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1 | A: YpdA family putative bacillithiol disulfide reductase Bdr B: YpdA family putative bacillithiol disulfide reductase Bdr C: YpdA family putative bacillithiol disulfide reductase Bdr D: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 151,735 | 10 |
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Polymers | 147,106 | 4 |
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Non-polymers | 4,629 | 6 |
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Water | 54 | 3 |
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Type | Name | Symmetry operation | Number |
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identity operation | 1_555 | x,y,z | 1 |
Buried area | 16380 Å2 |
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ΔGint | -73 kcal/mol |
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Surface area | 52810 Å2 |
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Method | PISA |
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2 | E: YpdA family putative bacillithiol disulfide reductase Bdr F: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules E: YpdA family putative bacillithiol disulfide reductase Bdr F: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 151,735 | 10 |
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Polymers | 147,106 | 4 |
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Non-polymers | 4,629 | 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 | 7_555 | y,x,-z+1/3 | 1 |
Buried area | 16320 Å2 |
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ΔGint | -76 kcal/mol |
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Surface area | 53210 Å2 |
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Method | PISA |
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3 | G: YpdA family putative bacillithiol disulfide reductase Bdr H: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules G: YpdA family putative bacillithiol disulfide reductase Bdr H: YpdA family putative bacillithiol disulfide reductase Bdr hetero molecules
| Theoretical mass | Number of molelcules |
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Total (without water) | 150,248 | 8 |
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Polymers | 147,106 | 4 |
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Non-polymers | 3,142 | 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 | 8_435 | x-y-1,-y-2,-z | 1 |
Buried area | 14260 Å2 |
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ΔGint | -72 kcal/mol |
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Surface area | 54550 Å2 |
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Method | PISA |
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Unit cell | Length a, b, c (Å) | 179.315, 179.315, 349.336 |
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Angle α, β, γ (deg.) | 90.000, 90.000, 120.000 |
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Int Tables number | 178 |
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Space group name H-M | P6122 |
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Space group name Hall | P612(x,y,z+5/12) |
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Symmetry operation | #1: x,y,z #2: x-y,x,z+1/6 #3: y,-x+y,z+5/6 #4: -y,x-y,z+1/3 #5: -x+y,-x,z+2/3 #6: x-y,-y,-z #7: -x,-x+y,-z+2/3 #8: -x,-y,z+1/2 #9: y,x,-z+1/3 #10: -y,-x,-z+5/6 #11: -x+y,y,-z+1/2 #12: x,x-y,-z+1/6 |
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Noncrystallographic symmetry (NCS) | NCS domain: 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 | METMETILEILE(chain 'A' and (resid 1 through 27 or resid 29...AA1 - 27 | 1 - 27 | 1 | 2 | THRTHRPHEPHE(chain 'A' and (resid 1 through 27 or resid 29...AA29 - 50 | 29 - 50 | 1 | 3 | SERSERGLUGLU(chain 'A' and (resid 1 through 27 or resid 29...AA52 - 67 | 52 - 67 | 1 | 4 | SERSERHISHIS(chain 'A' and (resid 1 through 27 or resid 29...AA69 - 87 | 69 - 87 | 1 | 5 | LEULEUMETMET(chain 'A' and (resid 1 through 27 or resid 29...AA89 - 103 | 89 - 103 | 1 | 6 | ASNASNGLNGLN(chain 'A' and (resid 1 through 27 or resid 29...AA105 - 323 | 105 - 323 | 1 | 7 | FADFAD | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | | |
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