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Iron in PDB 1ubj: Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F

Enzymatic activity of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F

All present enzymatic activity of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F:
1.12.2.1;

Protein crystallography data

The structure of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F, PDB code: 1ubj was solved by H.Ogata, Y.Mizoguchi, N.Mizuno, K.Miki, S.Adachi, N.Yasuoka, T.Yagi, O.Yamauchi, S.Hirota, Y.Higuchi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 97.740, 125.860, 66.570, 90.00, 90.00, 90.00
R / Rfree (%) 13.5 / 17.5

Other elements in 1ubj:

The structure of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Magnesium (Mg) 1 atom

Iron Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Iron atom in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F (pdb code 1ubj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F, PDB code: 1ubj:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 1ubj

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Iron binding site 1 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:12.4
occ:1.00
 FE1 S:SF41001 0.0 12.4 1.0
S4 S:SF41001 2.2 12.2 1.0
S2 S:SF41001 2.3 12.5 1.0
SG S:CYS17 2.3 12.6 1.0
S3 S:SF41001 2.3 12.8 1.0
FE2 S:SF41001 2.7 12.3 1.0
FE3 S:SF41001 2.7 12.2 1.0
FE4 S:SF41001 2.7 12.4 1.0
CB S:CYS17 3.4 12.6 1.0
N S:CYS17 3.7 12.6 1.0
S1 S:SF41001 3.9 12.2 1.0
CA S:CYS17 4.0 12.2 1.0
N S:GLY19 4.1 12.3 1.0
CE1 L:HIS235 4.2 12.5 1.0
O S:HOH3053 4.5 12.2 1.0
N S:THR18 4.5 12.5 1.0
C S:CYS17 4.5 12.5 1.0
CA S:GLY19 4.5 11.3 1.0
N S:CYS20 4.6 11.2 1.0
SG S:CYS114 4.6 13.3 1.0
CG L:ARG79 4.7 11.7 1.0
SG S:CYS150 4.8 12.1 1.0
SG S:CYS20 4.8 13.2 1.0
C S:GLU16 4.8 13.3 1.0
ND1 L:HIS235 4.9 14.0 1.0
C S:GLY19 5.0 11.7 1.0

Iron binding site 2 out of 12 in 1ubj

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Iron binding site 2 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:12.3
occ:1.00
 FE2 S:SF41001 0.0 12.3 1.0
SG S:CYS114 2.2 13.3 1.0
S3 S:SF41001 2.3 12.8 1.0
S4 S:SF41001 2.3 12.2 1.0
S1 S:SF41001 2.3 12.2 1.0
FE3 S:SF41001 2.6 12.2 1.0
FE1 S:SF41001 2.7 12.4 1.0
FE4 S:SF41001 2.7 12.4 1.0
CB S:CYS114 3.3 12.5 1.0
S2 S:SF41001 3.8 12.5 1.0
O S:HOH3014 4.0 13.7 1.0
N S:CYS114 4.0 11.5 1.0
O S:HOH3010 4.1 12.0 1.0
O S:HOH3053 4.1 12.2 1.0
CA S:CYS114 4.2 12.1 1.0
SG S:CYS150 4.5 12.1 1.0
SG S:CYS20 4.7 13.2 1.0
N S:CYS17 4.8 12.6 1.0
SG S:CYS17 4.8 12.6 1.0
CA S:GLU16 5.0 11.7 1.0

Iron binding site 3 out of 12 in 1ubj

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Iron binding site 3 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:12.2
occ:1.00
 FE3 S:SF41001 0.0 12.2 1.0
S2 S:SF41001 2.2 12.5 1.0
SG S:CYS150 2.3 12.1 1.0
S4 S:SF41001 2.3 12.2 1.0
S1 S:SF41001 2.3 12.2 1.0
FE2 S:SF41001 2.6 12.3 1.0
FE1 S:SF41001 2.7 12.4 1.0
FE4 S:SF41001 2.7 12.4 1.0
CB S:CYS150 3.4 11.6 1.0
CA S:CYS150 3.5 11.0 1.0
C S:CYS150 3.8 11.3 1.0
O S:HOH3014 3.8 13.7 1.0
S3 S:SF41001 3.9 12.8 1.0
CG L:ARG79 4.2 11.7 1.0
O S:CYS150 4.2 11.9 1.0
SG S:CYS114 4.3 13.3 1.0
N S:PRO151 4.3 10.4 1.0
SG S:CYS17 4.6 12.6 1.0
CE1 L:HIS235 4.6 12.5 1.0
ND1 L:HIS235 4.6 14.0 1.0
NE L:ARG79 4.6 12.9 1.0
CA S:PRO151 4.7 11.5 1.0
O S:GLY149 4.7 12.3 1.0
SG S:CYS20 4.7 13.2 1.0
N S:CYS150 4.8 10.4 1.0

Iron binding site 4 out of 12 in 1ubj

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Iron binding site 4 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:12.4
occ:1.00
 FE4 S:SF41001 0.0 12.4 1.0
S2 S:SF41001 2.3 12.5 1.0
SG S:CYS20 2.3 13.2 1.0
S3 S:SF41001 2.3 12.8 1.0
S1 S:SF41001 2.3 12.2 1.0
FE1 S:SF41001 2.7 12.4 1.0
FE2 S:SF41001 2.7 12.3 1.0
FE3 S:SF41001 2.7 12.2 1.0
CB S:CYS20 3.5 14.0 1.0
N S:CYS20 3.6 11.2 1.0
O S:HOH3010 3.9 12.0 1.0
S4 S:SF41001 4.0 12.2 1.0
CA S:CYS20 4.0 10.6 1.0
CA S:PRO151 4.3 11.5 1.0
CB S:PRO151 4.4 12.4 1.0
C S:GLY19 4.5 11.7 1.0
CA S:GLY112 4.6 11.4 1.0
SG S:CYS17 4.6 12.6 1.0
OE1 S:GLU75 4.7 15.2 1.0
CA S:CYS150 4.8 11.0 1.0
N S:PRO151 4.8 10.4 1.0
O S:GLY149 4.8 12.3 1.0
SG S:CYS114 4.8 13.3 1.0
CA S:GLY19 4.9 11.3 1.0
N S:GLY19 4.9 12.3 1.0
SG S:CYS150 4.9 12.1 1.0

Iron binding site 5 out of 12 in 1ubj

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Iron binding site 5 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:14.6
occ:1.00
 FE1 S:SF41002 0.0 14.6 1.0
ND1 S:HIS188 2.0 16.2 1.0
S4 S:SF41002 2.3 13.9 1.0
S2 S:SF41002 2.3 15.6 1.0
S3 S:SF41002 2.3 14.8 1.0
FE3 S:SF41002 2.6 14.3 1.0
FE2 S:SF41002 2.7 13.9 1.0
FE4 S:SF41002 2.7 14.8 1.0
CE1 S:HIS188 3.0 16.8 1.0
CG S:HIS188 3.2 14.6 1.0
CB S:HIS188 3.7 15.9 1.0
S1 S:SF41002 3.8 14.4 1.0
CA S:HIS188 3.9 13.2 1.0
NE2 S:HIS188 4.2 15.0 1.0
CD S:PRO225 4.3 14.9 1.0
CD2 S:HIS188 4.3 13.6 1.0
CG S:PRO225 4.3 17.4 1.0
CB S:CYS191 4.5 14.5 1.0
O S:HIS188 4.5 15.4 1.0
SG S:CYS191 4.6 14.4 1.0
SG S:CYS216 4.6 15.4 1.0
C S:HIS188 4.7 14.1 1.0
SG S:CYS222 4.7 13.7 1.0
N S:PRO225 4.7 13.6 1.0
CD2 S:PHE197 4.7 17.9 1.0
CA S:GLY224 4.9 13.6 1.0

Iron binding site 6 out of 12 in 1ubj

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Iron binding site 6 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:13.9
occ:1.00
 FE2 S:SF41002 0.0 13.9 1.0
S4 S:SF41002 2.3 13.9 1.0
S3 S:SF41002 2.3 14.8 1.0
SG S:CYS222 2.3 13.7 1.0
S1 S:SF41002 2.3 14.4 1.0
FE3 S:SF41002 2.7 14.3 1.0
FE1 S:SF41002 2.7 14.6 1.0
FE4 S:SF41002 2.8 14.8 1.0
CB S:CYS222 3.2 14.6 1.0
S2 S:SF41002 3.9 15.6 1.0
CG2 S:VAL243 4.3 15.8 1.0
N S:GLY224 4.5 15.8 1.0
CA S:GLY224 4.5 13.6 1.0
CD S:PRO225 4.6 14.9 1.0
ND1 S:HIS188 4.6 16.2 1.0
CA S:CYS222 4.6 13.7 1.0
SG S:CYS216 4.7 15.4 1.0
SG S:CYS191 4.7 14.4 1.0
N S:LEU217 4.8 13.8 1.0
N S:TYR218 4.8 13.2 1.0
C S:CYS222 4.9 13.2 1.0
CB S:LEU217 4.9 12.4 1.0

Iron binding site 7 out of 12 in 1ubj

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Iron binding site 7 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:14.3
occ:1.00
 FE3 S:SF41002 0.0 14.3 1.0
S1 S:SF41002 2.3 14.4 1.0
S2 S:SF41002 2.3 15.6 1.0
SG S:CYS191 2.3 14.4 1.0
S4 S:SF41002 2.3 13.9 1.0
FE1 S:SF41002 2.6 14.6 1.0
FE2 S:SF41002 2.7 13.9 1.0
FE4 S:SF41002 2.7 14.8 1.0
CB S:CYS191 3.2 14.5 1.0
S3 S:SF41002 3.9 14.8 1.0
CB S:ARG193 3.9 14.2 1.0
CG1 S:VAL243 4.3 14.6 1.0
ND1 S:HIS188 4.4 16.2 1.0
CG2 S:VAL243 4.5 15.8 1.0
N S:ARG193 4.6 16.0 1.0
CA S:CYS191 4.6 15.5 1.0
CA S:ARG193 4.6 16.1 1.0
CG S:ARG193 4.7 13.5 1.0
C S:ARG193 4.7 16.3 1.0
N S:LEU194 4.7 16.3 1.0
SG S:CYS222 4.8 13.7 1.0
CD S:ARG193 4.9 13.6 1.0
SG S:CYS216 4.9 15.4 1.0
CB S:VAL243 5.0 13.7 1.0

Iron binding site 8 out of 12 in 1ubj

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Iron binding site 8 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:14.8
occ:1.00
 FE4 S:SF41002 0.0 14.8 1.0
S2 S:SF41002 2.2 15.6 1.0
SG S:CYS216 2.3 15.4 1.0
S1 S:SF41002 2.3 14.4 1.0
S3 S:SF41002 2.3 14.8 1.0
FE1 S:SF41002 2.7 14.6 1.0
FE3 S:SF41002 2.7 14.3 1.0
FE2 S:SF41002 2.8 13.9 1.0
CB S:CYS216 3.4 15.4 1.0
N S:LEU217 3.8 13.8 1.0
CA S:CYS216 3.9 15.1 1.0
S4 S:SF41002 3.9 13.9 1.0
N S:TYR218 4.2 13.2 1.0
C S:CYS216 4.3 14.0 1.0
ND1 S:HIS188 4.4 16.2 1.0
CD2 S:PHE197 4.4 17.9 1.0
CB S:ARG193 4.5 14.2 1.0
CB S:PHE197 4.5 19.6 1.0
CB S:TYR218 4.6 13.8 1.0
CE1 S:HIS188 4.7 16.8 1.0
CA S:LEU217 4.8 15.4 1.0
C S:LEU217 4.8 13.4 1.0
SG S:CYS222 4.9 13.7 1.0
O S:ARG193 4.9 16.8 1.0
CA S:TYR218 4.9 13.6 1.0
SG S:CYS191 4.9 14.4 1.0
CG S:PHE197 4.9 18.1 1.0

Iron binding site 9 out of 12 in 1ubj

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Iron binding site 9 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1003

b:12.9
occ:1.00
 FE1 S:F3S1003 0.0 12.9 1.0
S1 S:F3S1003 2.2 13.3 1.0
S2 S:F3S1003 2.3 13.0 1.0
S3 S:F3S1003 2.3 12.8 1.0
SG S:CYS249 2.3 13.0 1.0
FE4 S:F3S1003 2.7 12.7 1.0
FE3 S:F3S1003 2.7 12.9 1.0
CB S:CYS249 3.3 13.7 1.0
CA S:CYS249 3.7 12.3 1.0
S4 S:F3S1003 3.9 12.5 1.0
N S:ILE250 4.0 10.8 1.0
N S:GLY251 4.2 11.2 1.0
C S:CYS249 4.3 13.8 1.0
N S:CYS252 4.4 11.3 1.0
CG2 S:THR227 4.6 13.9 1.0
CG2 S:VAL187 4.7 13.6 1.0
CA S:GLY251 4.8 12.2 1.0
SG S:CYS231 4.8 14.3 1.0
SG S:CYS252 4.8 13.2 1.0
NE2 L:GLN237 4.9 15.4 1.0
CG S:PRO242 4.9 14.2 1.0
N S:CYS249 5.0 11.9 1.0

Iron binding site 10 out of 12 in 1ubj

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Iron binding site 10 out of 12 in the Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Three-Dimensional Structure of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulufovibrio Vulgaris Miyazaki F within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1003

b:12.9
occ:1.00
 FE3 S:F3S1003 0.0 12.9 1.0
S1 S:F3S1003 2.3 13.3 1.0
S4 S:F3S1003 2.3 12.5 1.0
SG S:CYS231 2.3 14.3 1.0
S3 S:F3S1003 2.3 12.8 1.0
FE4 S:F3S1003 2.7 12.7 1.0
FE1 S:F3S1003 2.7 12.9 1.0
CB S:CYS231 3.3 14.6 1.0
OD1 S:ASN229 3.9 15.6 1.0
S2 S:F3S1003 4.0 13.0 1.0
O S:HOH3018 4.3 14.8 1.0
CE2 S:PHE236 4.4 13.3 1.0
CG S:ASN229 4.5 12.6 1.0
CZ S:PHE236 4.5 14.2 1.0
CG2 S:VAL187 4.6 13.6 1.0
CB S:ASN229 4.6 12.2 1.0
CD S:PRO242 4.7 13.9 1.0
CG S:PRO242 4.7 14.2 1.0
SG S:CYS252 4.7 13.2 1.0
CA S:CYS231 4.8 14.8 1.0
SG S:CYS249 4.8 13.0 1.0

Reference:

H.Ogata, Y.Mizoguchi, N.Mizuno, K.Miki, S.Adachi, N.Yasuoka, T.Yagi, O.Yamauchi, S.Hirota, Y.Higuchi. Structural Studies of the Carbon Monoxide Complex of [Nife]Hydrogenase From Desulfovibrio Vulgaris Miyazaki F: Suggestion For the Initial Activation Site For Dihydrogen J.Am.Chem.Soc. V. 124 11628 2002.
ISSN: ISSN 0002-7863
PubMed: 12296727
DOI: 10.1021/JA012645K
Page generated: Wed Jul 16 21:14:26 2025

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