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| ID of heme | Axial ligands on heme | Function & structure | ||
|---|---|---|---|---|
| 8f6c-A-1001 |
sad. +0.11 ruf. +0.14 dom. +0.26 bre. -0.02 |
HIS | chainID: A, resSeq: 106, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
translocase oligomeric count: 8 pocket vol.: 432.0 Å3 d(Fe-oop): 0.122 Å |
| HIS | chainID: A, resSeq: 421, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
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| 8f6c-A-1002 |
sad. -0.02 ruf. -2.29 dom. +0.94 bre. +0.64 |
HIS | chainID: A, resSeq: 419, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
translocase oligomeric count: 8 pocket vol.: 754.0 Å3 d(Fe-oop): 1.065 Å |
| Not assigned. | ||||
| 8f6c-E-1001 |
sad. +0.11 ruf. +0.14 dom. +0.26 bre. -0.02 |
HIS | chainID: E, resSeq: 106, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
translocase oligomeric count: 8 pocket vol.: 445.0 Å3 d(Fe-oop): 0.122 Å |
| HIS | chainID: E, resSeq: 421, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
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| 8f6c-E-1002 |
sad. -0.02 ruf. -2.29 dom. +0.94 bre. +0.64 |
HIS | chainID: E, resSeq: 419, molecule: Cytochrome bo(3) ubiquinol oxidase subunit 1 |
translocase oligomeric count: 8 pocket vol.: 785.0 Å3 d(Fe-oop): 1.064 Å |
| Not assigned. | ||||
| 8f91-A-401 |
sad. -0.08 ruf. +0.06 dom. -0.09 bre. +0.06 |
CYS | chainID: A, resSeq: 347, molecule: OxyB |
oxidoreductase oligomeric count: 1 pocket vol.: 402.0 Å3 d(Fe-oop): 0.072 Å |
| Not assigned. | ||||
| 8f9h-A-200 |
sad. +0.10 ruf. -0.11 dom. -0.14 bre. -0.04 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
unclassified oligomeric count: 1 pocket vol.: 562.0 Å3 d(Fe-oop): 0.007 Å |
| NSM | chainID: A, resSeq: 201, molecule: NITROSOMETHANE |
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| 8f9i-A-200 |
sad. +0.15 ruf. -0.02 dom. -0.10 bre. +0.00 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
unclassified oligomeric count: 1 pocket vol.: 544.0 Å3 d(Fe-oop): 0.020 Å |
| NOE | chainID: A, resSeq: 201, molecule: NITROSOETHANE |
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| 8f9i-B-200 |
sad. +0.09 ruf. -0.06 dom. -0.18 bre. +0.03 |
HIS | chainID: B, resSeq: 93, molecule: Myoglobin |
unclassified oligomeric count: 1 pocket vol.: 533.0 Å3 d(Fe-oop): 0.037 Å |
| NOE | chainID: B, resSeq: 201, molecule: NITROSOETHANE |
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| 8f9j-A-200 |
sad. +0.19 ruf. +0.14 dom. -0.29 bre. -0.01 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
unclassified oligomeric count: 1 pocket vol.: 532.0 Å3 d(Fe-oop): 0.052 Å |
| XEM | chainID: A, resSeq: 201, molecule: 1-nitrosopropane |
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| 8f9n-A-200 |
sad. +0.12 ruf. +0.15 dom. -0.15 bre. +0.04 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
unclassified oligomeric count: 1 pocket vol.: 548.0 Å3 d(Fe-oop): 0.017 Å |
| XEP | chainID: A, resSeq: 201, molecule: 2-nitrosopropane |
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| 8fb0-A-201 |
sad. +0.10 ruf. -0.01 dom. -0.27 bre. -0.12 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
oxygen carrier oligomeric count: 1 pocket vol.: 486.0 Å3 d(Fe-oop): 0.037 Å |
| ACM | chainID: A, resSeq: 202, molecule: ACETAMIDE |
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| 8fbc-A-400 |
sad. -0.10 ruf. -0.38 dom. +0.09 bre. -0.14 |
CYS | chainID: A, resSeq: 345, molecule: Cytochrome P450 |
oxidoreductase oligomeric count: 1 pocket vol.: 389.0 Å3 d(Fe-oop): 0.090 Å |
| HOH | chainID: A, resSeq: 600, molecule: water |
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| 8fbc-B-400 |
sad. -0.15 ruf. -0.41 dom. +0.10 bre. -0.11 |
CYS | chainID: B, resSeq: 345, molecule: Cytochrome P450 |
oxidoreductase oligomeric count: 1 pocket vol.: 398.0 Å3 d(Fe-oop): 0.087 Å |
| HOH | chainID: B, resSeq: 650, molecule: water |
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| 8fda-A-600 |
sad. -0.09 ruf. +0.10 dom. -0.31 bre. -0.30 |
CYS | chainID: A, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase |
oxidoreductase oligomeric count: 1 pocket vol.: 445.0 Å3 d(Fe-oop): 0.052 Å |
| XPK | chainID: A, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium |
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| 8fda-B-600 |
sad. -0.28 ruf. +0.19 dom. -0.15 bre. -0.04 |
CYS | chainID: B, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase |
oxidoreductase oligomeric count: 1 pocket vol.: 417.0 Å3 d(Fe-oop): 0.041 Å |
| XPK | chainID: B, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium |
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| 8fda-C-600 |
sad. -0.04 ruf. +0.04 dom. -0.21 bre. -0.18 |
CYS | chainID: C, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase |
oxidoreductase oligomeric count: 1 pocket vol.: 442.0 Å3 d(Fe-oop): 0.175 Å |
| XPK | chainID: C, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium |
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| 8fda-D-600 |
sad. -0.09 ruf. +0.27 dom. -0.21 bre. -0.11 |
CYS | chainID: D, resSeq: 442, molecule: Steroid 17-alpha-hydroxylase/17,20 lyase |
oxidoreductase oligomeric count: 1 pocket vol.: 446.0 Å3 d(Fe-oop): 0.064 Å |
| XPK | chainID: D, resSeq: 601, molecule: [(1~{R})-1-[(3~{S},5~{S},8~{R},9~{S},10~{S},13~{S},17~{R})-3-methanoyloxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-methylidyne-azanium |
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| 8fdj-A-201 |
sad. +0.10 ruf. -0.40 dom. -0.17 bre. +0.08 |
HIS | chainID: A, resSeq: 93, molecule: Myoglobin |
oxygen carrier oligomeric count: 1 pocket vol.: 525.0 Å3 d(Fe-oop): 0.010 Å |
| NBE | chainID: A, resSeq: 202, molecule: NITROSOBENZENE |
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| 8fdk-A-201 |
sad. +0.06 ruf. -0.44 dom. -0.32 bre. -0.15 |
HIS | chainID: A, resSeq: 87, molecule: Hemoglobin subunit alpha |
oxygen carrier oligomeric count: 4 pocket vol.: 532.0 Å3 d(Fe-oop): 0.002 Å |
| HOH | chainID: A, resSeq: 327, molecule: water |
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| 8fdk-B-201 |
sad. -0.24 ruf. -0.44 dom. +0.19 bre. -0.25 |
HIS | chainID: B, resSeq: 63, molecule: Hemoglobin subunit beta |
oxygen carrier oligomeric count: 4 pocket vol.: 628.0 Å3 d(Fe-oop): 0.009 Å |
| HIS | chainID: B, resSeq: 92, molecule: Hemoglobin subunit beta |
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