BIOINORGANIC CHEMISTRY A Short Course Second Edition

CYTOCHROMES c 419

PDB No. Fe (II)/(III) (Species, Crystal Space Group, Resolution Å )

H

O ID 2

(watxxx)

H - Bond Partner — H

O Distance ( Å ) 2

Amino Acid to H - Bond Partner

Distance (

Å )

Iron Ion

— Amino

Acid Ligand

Bond Distance

( Å )

1LC1Fe(II)(horse, NMR)

waters not

reported

met80 S

— tyr67 OH 3.37,δ

thr78 O

δ^1

— tyr67 OH (4.14)

a

thr78 O

δ^1

— O2D 2.57,

thr40 O

δ^1

— O1A 3.09,

asn52 N

δ^2

— heme O2D 2.78,

asn52 N

δ^2

— heme O1A 2.82,

asn52 N

δ^2

— heme O2A (5.04)

a ,

asn52 O

— heme O2A (4.90) δ 1

a

asn52 O

— heme O1D (6.48) δ 1

a

his18met80

N

— Fe 1.97 Å ,ε 2

Sδ

— Fe 2.68

1GIWFe(II)(horse, NMR)

waters not

reported

met80 S

— tyr67 OH 3.18,δ

thr78 O

δ^1

— tyr67 OH 3.27,

thr78 O

δ^1

— O2D 2.61,

thr49 O

δ^1

— O2D 3.06,

asn52 N

δ^2

— heme O2D 2.81

asn52 N

δ^2

— heme O1A (5.27)

a ,

asn52 N

δ^2

— heme O2A (6.97)

a ,

asn52 O

— heme O2A (6.62) δ 1

a

asn52 O

— heme O1D (5.76) δ 1

a

his18met80

N

— Fe 1.94 Å ,ε 2

Sδ

— Fe 2.36

3CYTFe(III)(tuna, P4

, 1.80) 3

met80 S

— tyr67 OH 3.13 δ

his18met80

N

— Fe 1.96 Å ,ε 2

Sδ

— Fe 2.28

1LFMCo(III)(tuna, P4

, 1.60) 3

met80 S

— tyr67 OH 3.07 δ

his18met80

N

— Co 2.05 Å ,ε 2

Sδ

— Co 2.38

a Bond distances too long to be considered as hydrogen bonds