Atomistry » Iron » PDB 4tof-4ud2 » 4ttt
Atomistry »
  Iron »
    PDB 4tof-4ud2 »
      4ttt »

Iron in PDB 4ttt: Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3

Enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3

All present enzymatic activity of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3:
1.12.99.6;

Protein crystallography data

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3, PDB code: 4ttt was solved by A.Schmidt, J.Kalms, P.Scheerer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.83 / 1.72
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 72.774, 95.570, 119.228, 90.00, 90.00, 90.00
R / Rfree (%) 13.4 / 16.5

Other elements in 4ttt:

The structure of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 also contains other interesting chemical elements:

Nickel (Ni) 1 atom
Magnesium (Mg) 1 atom
Chlorine (Cl) 3 atoms
Sodium (Na) 1 atom

Iron Binding Sites:

Pages:

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

Binding sites:

The binding sites of Iron atom in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 (pdb code 4ttt). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3, PDB code: 4ttt:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iron binding site 1 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 1 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
L:Fe701

b:16.5
occ:1.00
FE L:NFV701 0.0 16.5 1.0
C2 L:NFV701 1.8 15.0 1.0
C3 L:NFV701 1.9 16.1 1.0
C1 L:NFV701 2.0 16.2 1.0
O4 L:NFV701 2.1 16.6 1.0
SG L:CYS600 2.3 15.3 1.0
SG L:CYS78 2.4 16.8 1.0
NI L:NFV701 2.9 18.7 1.0
N2 L:NFV701 3.0 14.7 1.0
N3 L:NFV701 3.0 14.9 1.0
O1 L:NFV701 3.2 18.3 1.0
CB L:CYS600 3.4 14.2 1.0
CB L:CYS78 3.4 15.9 1.0
NE2 L:HIS82 4.2 14.2 1.0
CG1 L:VAL551 4.3 15.0 1.0
CD L:ARG530 4.3 14.8 1.0
SG L:CYS81 4.4 18.0 1.0
NH1 L:ARG530 4.4 17.2 1.0
SG L:CYS597 4.4 17.9 1.0
CB L:CYS597 4.4 15.8 1.0
CD L:PRO552 4.7 14.3 1.0
CA L:CYS600 4.8 14.1 1.0
SG L:CYS75 4.8 18.3 1.0
CA L:CYS78 4.8 15.8 1.0
CB L:CYS75 4.9 14.2 1.0
CD2 L:HIS82 4.9 15.1 1.0
NE L:ARG530 5.0 16.2 1.0

Iron binding site 2 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 2 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:22.3
occ:1.00
FE1 S:SF41001 0.0 22.3 1.0
S2 S:SF41001 2.3 25.1 1.0
S3 S:SF41001 2.3 23.4 1.0
SG S:CYS221 2.3 21.1 1.0
S4 S:SF41001 2.3 22.7 1.0
FE3 S:SF41001 2.7 24.4 1.0
FE2 S:SF41001 2.7 24.9 1.0
FE4 S:SF41001 2.8 25.8 1.0
CB S:CYS221 3.3 20.9 1.0
S1 S:SF41001 3.9 26.3 1.0
CD1 S:ILE243 3.9 21.5 1.0
CG1 S:ILE243 4.4 21.7 1.0
CD S:PRO224 4.5 24.8 1.0
N S:GLY223 4.5 20.9 1.0
CA S:GLY223 4.5 22.0 1.0
CA S:CYS221 4.6 20.2 1.0
SG S:CYS215 4.7 26.6 1.0
ND1 S:HIS187 4.7 31.3 1.0
N S:TYR217 4.8 24.3 1.0
SG S:CYS190 4.8 24.7 1.0
N S:LEU216 4.8 23.1 1.0
C S:CYS221 4.8 20.1 1.0
O S:CYS221 4.9 21.0 1.0
C S:LEU216 5.0 23.8 1.0
CB S:LEU216 5.0 23.8 1.0

Iron binding site 3 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 3 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:24.9
occ:1.00
FE2 S:SF41001 0.0 24.9 1.0
S1 S:SF41001 2.3 26.3 1.0
SG S:CYS215 2.3 26.6 1.0
S4 S:SF41001 2.3 22.7 1.0
S3 S:SF41001 2.3 23.4 1.0
FE4 S:SF41001 2.7 25.8 1.0
FE1 S:SF41001 2.7 22.3 1.0
FE3 S:SF41001 2.8 24.4 1.0
CB S:CYS215 3.4 27.2 1.0
N S:LEU216 3.8 23.1 1.0
S2 S:SF41001 3.9 25.1 1.0
CA S:CYS215 3.9 26.8 1.0
N S:TYR217 4.2 24.3 1.0
C S:CYS215 4.3 24.9 1.0
CB S:PHE196 4.3 29.5 1.0
CD1 S:PHE196 4.4 30.8 1.0
ND1 S:HIS187 4.5 31.3 1.0
CE1 S:HIS187 4.6 32.3 1.0
CB S:ARG192 4.7 26.3 1.0
CB S:TYR217 4.7 24.2 1.0
CA S:LEU216 4.8 24.6 1.0
CG S:PHE196 4.8 29.9 1.0
SG S:CYS221 4.8 21.1 1.0
C S:LEU216 4.8 23.8 1.0
O S:ARG192 4.8 29.0 1.0
CA S:TYR217 4.9 24.0 1.0
SG S:CYS190 4.9 24.7 1.0

Iron binding site 4 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 4 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:24.4
occ:1.00
FE3 S:SF41001 0.0 24.4 1.0
S1 S:SF41001 2.3 26.3 1.0
S2 S:SF41001 2.3 25.1 1.0
S4 S:SF41001 2.3 22.7 1.0
SG S:CYS190 2.3 24.7 1.0
FE1 S:SF41001 2.7 22.3 1.0
FE4 S:SF41001 2.7 25.8 1.0
FE2 S:SF41001 2.8 24.9 1.0
CB S:CYS190 3.2 26.5 1.0
S3 S:SF41001 3.9 23.4 1.0
CD1 S:ILE243 4.1 21.5 1.0
CB S:ARG192 4.1 26.3 1.0
CG2 S:ILE243 4.3 21.2 1.0
CA S:CYS190 4.6 28.2 1.0
ND1 S:HIS187 4.6 31.3 1.0
CG1 S:ILE243 4.7 21.7 1.0
SG S:CYS221 4.7 21.1 1.0
N S:ARG193 4.7 28.9 1.0
C S:ARG192 4.7 28.3 1.0
CA S:ARG192 4.8 28.6 1.0
N S:ARG192 4.8 28.0 1.0
CG S:ARG192 4.9 26.0 1.0
C S:CYS190 4.9 28.8 1.0

Iron binding site 5 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 5 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1001

b:25.8
occ:1.00
FE4 S:SF41001 0.0 25.8 1.0
ND1 S:HIS187 2.1 31.3 1.0
S1 S:SF41001 2.3 26.3 1.0
S3 S:SF41001 2.3 23.4 1.0
S2 S:SF41001 2.3 25.1 1.0
FE2 S:SF41001 2.7 24.9 1.0
FE3 S:SF41001 2.7 24.4 1.0
FE1 S:SF41001 2.8 22.3 1.0
CE1 S:HIS187 2.9 32.3 1.0
CG S:HIS187 3.2 32.3 1.0
CB S:HIS187 3.7 29.2 1.0
S4 S:SF41001 3.9 22.7 1.0
CA S:HIS187 4.0 27.4 1.0
NE2 S:HIS187 4.1 32.3 1.0
CG S:PRO224 4.2 24.8 1.0
CD2 S:HIS187 4.2 32.7 1.0
CD S:PRO224 4.3 24.8 1.0
SG S:CYS215 4.6 26.6 1.0
CB S:CYS190 4.7 26.5 1.0
O S:HIS187 4.8 28.1 1.0
SG S:CYS190 4.8 24.7 1.0
CD1 S:PHE196 4.8 30.8 1.0
SG S:CYS221 4.8 21.1 1.0
N S:PRO224 4.8 23.9 1.0
C S:HIS187 4.9 27.9 1.0
N S:HIS187 4.9 26.2 1.0

Iron binding site 6 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 6 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:20.2
occ:1.00
FE1 S:F3S1002 0.0 20.2 1.0
S1 S:F3S1002 2.3 22.8 1.0
S3 S:F3S1002 2.3 20.3 1.0
S2 S:F3S1002 2.3 18.8 1.0
SG S:CYS249 2.3 20.4 1.0
FE4 S:F3S1002 2.7 19.0 1.0
FE3 S:F3S1002 2.7 21.1 1.0
CB S:CYS249 3.2 18.9 1.0
CA S:CYS249 3.7 19.2 1.0
S4 S:F3S1002 3.9 19.2 1.0
N S:ILE250 4.1 18.8 1.0
N S:GLY251 4.2 19.0 1.0
C S:CYS249 4.3 18.5 1.0
N S:CYS252 4.4 17.8 1.0
CG2 S:THR226 4.5 21.2 1.0
CG1 S:ILE186 4.6 23.6 1.0
SG S:CYS252 4.7 18.5 1.0
CA S:GLY251 4.8 18.5 1.0
SG S:CYS230 4.8 20.5 1.0
CG S:PRO242 4.8 19.2 1.0
O L:HOH1221 4.8 34.8 1.0
CD1 S:ILE186 4.9 23.4 1.0
N S:CYS249 5.0 19.7 1.0

Iron binding site 7 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 7 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:21.1
occ:1.00
FE3 S:F3S1002 0.0 21.1 1.0
SG S:CYS230 2.3 20.5 1.0
S3 S:F3S1002 2.3 20.3 1.0
S1 S:F3S1002 2.3 22.8 1.0
S4 S:F3S1002 2.3 19.2 1.0
FE1 S:F3S1002 2.7 20.2 1.0
FE4 S:F3S1002 2.7 19.0 1.0
CB S:CYS230 3.3 19.8 1.0
S2 S:F3S1002 4.0 18.8 1.0
ND2 S:ASN228 4.0 20.2 1.0
NE1 S:TRP235 4.3 19.1 1.0
CD1 S:ILE186 4.3 23.4 1.0
O S:HOH1134 4.4 17.9 1.0
CG S:PRO242 4.6 19.2 1.0
CD S:PRO242 4.6 18.8 1.0
CG S:ASN228 4.6 20.6 1.0
CB S:ASN228 4.6 22.0 1.0
CA S:CYS230 4.7 20.0 1.0
SG S:CYS252 4.7 18.5 1.0
SG S:CYS249 4.8 20.4 1.0
CG1 S:ILE186 4.9 23.6 1.0

Iron binding site 8 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 8 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1002

b:19.0
occ:1.00
FE4 S:F3S1002 0.0 19.0 1.0
SG S:CYS252 2.3 18.5 1.0
S4 S:F3S1002 2.3 19.2 1.0
S2 S:F3S1002 2.3 18.8 1.0
S3 S:F3S1002 2.3 20.3 1.0
FE1 S:F3S1002 2.7 20.2 1.0
FE3 S:F3S1002 2.7 21.1 1.0
CB S:CYS252 3.4 18.2 1.0
O L:HOH887 3.8 22.3 1.0
N S:CYS252 3.8 17.8 1.0
O S:HOH1134 3.9 17.9 1.0
S1 S:F3S1002 4.0 22.8 1.0
CA S:CYS252 4.1 18.0 1.0
NZ L:LYS226 4.1 17.3 1.0
N S:SER253 4.5 19.8 1.0
C S:CYS252 4.6 19.1 1.0
ND2 S:ASN228 4.7 20.2 1.0
SG S:CYS249 4.7 20.4 1.0
SG S:CYS230 4.7 20.5 1.0
O L:HOH1221 4.9 34.8 1.0
C S:GLY251 5.0 18.2 1.0

Iron binding site 9 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 9 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 9 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1003

b:22.4
occ:1.00
FE1 S:F4S1003 0.0 22.4 1.0
SG S:CYS17 2.3 16.9 1.0
S2 S:F4S1003 2.3 19.8 1.0
SG S:CYS19 2.4 20.2 1.0
S1 S:F4S1003 2.4 21.3 1.0
FE2 S:F4S1003 2.6 20.9 1.0
FE4 S:F4S1003 3.1 31.0 1.0
CB S:CYS17 3.4 15.7 1.0
CB S:CYS19 3.5 17.2 1.0
FE3 S:F4S1003 3.5 20.5 1.0
N S:CYS19 3.7 16.6 1.0
S3 S:F4S1003 3.7 20.9 1.0
N S:CYS17 3.8 16.2 1.0
CA S:CYS17 4.0 15.5 1.0
NE2 L:HIS229 4.1 15.6 1.0
N S:THR18 4.1 15.3 1.0
CA S:CYS19 4.2 16.2 1.0
C S:CYS17 4.3 15.0 1.0
SG S:CYS149 4.4 18.4 1.0
SG S:CYS115 4.6 20.0 1.0
O S:HOH1136 4.6 18.1 1.0
CD2 L:HIS229 4.8 16.1 1.0
C S:THR18 4.8 16.8 1.0
N S:CYS20 4.8 16.3 1.0
CG L:ARG73 5.0 16.6 1.0
SG S:CYS20 5.0 20.2 1.0
C S:GLU16 5.0 17.1 0.5
C S:CYS19 5.0 16.1 1.0
C S:GLU16 5.0 17.1 0.5

Iron binding site 10 out of 12 in 4ttt

Go back to Iron Binding Sites List in 4ttt
Iron binding site 10 out of 12 in the Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 10 of Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 within 5.0Å range:
probe atom residue distance (Å) B Occ
S:Fe1003

b:20.9
occ:1.00
FE2 S:F4S1003 0.0 20.9 1.0
S3 S:F4S1003 2.3 20.9 1.0
SG S:CYS115 2.3 20.0 1.0
S1 S:F4S1003 2.3 21.3 1.0
S2 S:F4S1003 2.3 19.8 1.0
FE1 S:F4S1003 2.6 22.4 1.0
FE3 S:F4S1003 2.7 20.5 1.0
CB S:CYS115 3.3 17.8 1.0
O S:HOH1152 3.7 24.3 1.0
FE4 S:F4S1003 3.8 31.0 1.0
N S:CYS115 4.0 18.5 1.0
O S:HOH1136 4.1 18.1 1.0
SG S:CYS19 4.1 20.2 1.0
CA S:CYS115 4.2 18.8 1.0
SG S:CYS120 4.4 17.6 1.0
CB S:CYS120 4.4 17.2 1.0
N S:CYS17 4.5 16.2 1.0
SG S:CYS20 4.6 20.2 1.0
SG S:CYS17 4.7 16.9 1.0
SG S:CYS149 4.7 18.4 1.0
CA S:GLU16 4.8 17.8 0.5
CA S:GLU16 4.8 17.6 0.5
CB S:GLU16 4.9 19.0 0.5

Reference:

A.Schmidt, J.Kalms, S.Frielingsdorf, R.Evans, J.Fritsch, F.Armstrong, O.Lenz, P.Scheerer. Crystal Structure of An O2-Tolerant [Nife]-Hydrogenase From Ralstonia Eutropha in Its As-Isolated Form (Oxidized State) - 3 To Be Published.
Page generated: Sun Dec 13 15:47:42 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy