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ID of heme Axial ligands on heme Function & structure
4u8u-D-201
sad. -0.11
ruf. -0.04
dom. -0.26
bre. -0.33
HIS chainID: D,
resSeq: 94,
molecule: Globin d Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 550.0 Å3
d(Fe-oop): 0.076 Å
CYN chainID: D, resSeq: 202,

molecule: CYANIDE ION

4u8u-E-201
sad. +0.25
ruf. -0.21
dom. -0.05
bre. -0.36
HIS chainID: E,
resSeq: 99,
molecule: Globin a chain
oxygen carrier
oligomeric count: 180
pocket vol.: 550.0 Å3
d(Fe-oop): 0.073 Å
CYN chainID: E, resSeq: 202,

molecule: CYANIDE ION

4u8u-F-201
sad. +0.22
ruf. +0.13
dom. -0.32
bre. -0.31
HIS chainID: F,
resSeq: 95,
molecule: Globin b Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 520.0 Å3
d(Fe-oop): 0.018 Å
CYN chainID: F, resSeq: 202,

molecule: CYANIDE ION

4u8u-G-201
sad. -0.23
ruf. +0.05
dom. -0.05
bre. -0.34
HIS chainID: G,
resSeq: 100,
molecule: Globin c Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 498.0 Å3
d(Fe-oop): 0.144 Å
CYN chainID: G, resSeq: 202,

molecule: CYANIDE ION

4u8u-H-201
sad. -0.06
ruf. +0.03
dom. -0.21
bre. -0.31
HIS chainID: H,
resSeq: 94,
molecule: Globin d Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 557.0 Å3
d(Fe-oop): 0.029 Å
CYN chainID: H, resSeq: 202,

molecule: CYANIDE ION

4u8u-I-201
sad. +0.15
ruf. -0.18
dom. -0.02
bre. -0.38
HIS chainID: I,
resSeq: 99,
molecule: Globin a chain
oxygen carrier
oligomeric count: 180
pocket vol.: 514.0 Å3
d(Fe-oop): 0.078 Å
CYN chainID: I, resSeq: 202,

molecule: CYANIDE ION

4u8u-J-201
sad. +0.01
ruf. +0.07
dom. -0.32
bre. -0.36
HIS chainID: J,
resSeq: 95,
molecule: Globin b Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 533.0 Å3
d(Fe-oop): 0.039 Å
CYN chainID: J, resSeq: 202,

molecule: CYANIDE ION

4u8u-K-201
sad. -0.14
ruf. +0.32
dom. -0.07
bre. -0.34
HIS chainID: K,
resSeq: 100,
molecule: Globin c Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 519.0 Å3
d(Fe-oop): 0.189 Å
CYN chainID: K, resSeq: 202,

molecule: CYANIDE ION

4u8u-L-201
sad. -0.09
ruf. -0.02
dom. -0.16
bre. -0.35
HIS chainID: L,
resSeq: 94,
molecule: Globin d Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 544.0 Å3
d(Fe-oop): 0.003 Å
CYN chainID: L, resSeq: 202,

molecule: CYANIDE ION

4u8u-P-201
sad. +0.13
ruf. -0.19
dom. +0.00
bre. -0.41
HIS chainID: P,
resSeq: 99,
molecule: Globin a chain
oxygen carrier
oligomeric count: 180
pocket vol.: 518.0 Å3
d(Fe-oop): 0.067 Å
CYN chainID: P, resSeq: 202,

molecule: CYANIDE ION

4u8u-Q-201
sad. +0.07
ruf. +0.18
dom. -0.37
bre. -0.32
HIS chainID: Q,
resSeq: 95,
molecule: Globin b Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 545.0 Å3
d(Fe-oop): 0.019 Å
CYN chainID: Q, resSeq: 202,

molecule: CYANIDE ION

4u8u-R-201
sad. -0.15
ruf. +0.25
dom. +0.04
bre. -0.29
HIS chainID: R,
resSeq: 100,
molecule: Globin c Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 504.0 Å3
d(Fe-oop): 0.141 Å
CYN chainID: R, resSeq: 202,

molecule: CYANIDE ION

4u8u-S-201
sad. -0.17
ruf. +0.02
dom. -0.17
bre. -0.32
HIS chainID: S,
resSeq: 94,
molecule: Globin d Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 558.0 Å3
d(Fe-oop): 0.003 Å
CYN chainID: S, resSeq: 202,

molecule: CYANIDE ION

4u8u-T-201
sad. +0.10
ruf. -0.23
dom. +0.03
bre. -0.39
HIS chainID: T,
resSeq: 99,
molecule: Globin a chain
oxygen carrier
oligomeric count: 180
pocket vol.: 507.0 Å3
d(Fe-oop): 0.123 Å
CYN chainID: T, resSeq: 202,

molecule: CYANIDE ION

4u8u-U-201
sad. +0.15
ruf. -0.02
dom. -0.39
bre. -0.33
HIS chainID: U,
resSeq: 95,
molecule: Globin b Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 508.0 Å3
d(Fe-oop): 0.018 Å
CYN chainID: U, resSeq: 202,

molecule: CYANIDE ION

4u8u-V-201
sad. -0.17
ruf. +0.10
dom. -0.05
bre. -0.36
HIS chainID: V,
resSeq: 100,
molecule: Globin c Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 493.0 Å3
d(Fe-oop): 0.177 Å
CYN chainID: V, resSeq: 202,

molecule: CYANIDE ION

4u8u-W-201
sad. -0.18
ruf. +0.09
dom. -0.16
bre. -0.36
HIS chainID: W,
resSeq: 94,
molecule: Globin d Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 564.0 Å3
d(Fe-oop): 0.025 Å
CYN chainID: W, resSeq: 202,

molecule: CYANIDE ION

4u8u-X-201
sad. +0.07
ruf. +0.04
dom. -0.11
bre. -0.36
HIS chainID: X,
resSeq: 99,
molecule: Globin a chain
oxygen carrier
oligomeric count: 180
pocket vol.: 506.0 Å3
d(Fe-oop): 0.099 Å
CYN chainID: X, resSeq: 202,

molecule: CYANIDE ION

4u8u-Y-201
sad. +0.04
ruf. +0.07
dom. -0.33
bre. -0.36
HIS chainID: Y,
resSeq: 95,
molecule: Globin b Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 519.0 Å3
d(Fe-oop): 0.000 Å
CYN chainID: Y, resSeq: 202,

molecule: CYANIDE ION

4u8u-Z-201
sad. -0.10
ruf. +0.25
dom. -0.07
bre. -0.32
HIS chainID: Z,
resSeq: 100,
molecule: Globin c Chain
oxygen carrier
oligomeric count: 180
pocket vol.: 502.0 Å3
d(Fe-oop): 0.184 Å
CYN chainID: Z, resSeq: 202,

molecule: CYANIDE ION