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Iron in PDB 7o1t: Fe(Co)2CNCL Species Bound [Hyde From T. Maritima

Protein crystallography data

The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t was solved by R.Rohac, L.Martin, L.Liu, D.Basu, L.Tao, R.D.Britt, T.Rauchfuss, Y.Nicolet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 9.93 / 1.50
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 63.54, 82.83, 70.4, 90, 90, 90
R / Rfree (%) 16.7 / 19.5

Other elements in 7o1t:

The structure of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima also contains other interesting chemical elements:

Iodine (I) 2 atoms
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima (pdb code 7o1t). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 6 binding sites of Iron where determined in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima, PDB code: 7o1t:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6;

Iron binding site 1 out of 6 in 7o1t

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Iron binding site 1 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:14.8
occ:0.63
 C A:CYN405 1.7 16.0 0.7
C A:CMO403 1.8 15.3 0.7
C A:CMO404 1.8 18.1 0.9
N A:CYS401 2.0 17.8 0.8
OXT A:CYS401 2.1 18.7 0.8
SG A:CYS401 2.3 15.9 0.8
CA A:CYS401 2.7 15.7 0.8
C A:CYS401 2.8 19.3 0.8
N A:CYN405 2.9 15.5 0.7
O A:CMO403 3.0 15.7 0.7
O A:CMO404 3.0 20.5 0.9
CB A:CYS401 3.1 17.0 0.8
O A:CYS401 4.0 21.1 0.8
OG1 A:THR269 4.4 22.8 1.0
O A:HOH585 4.6 19.6 1.0
NH2 A:ARG159 4.6 24.9 1.0
SD A:MET291 4.6 24.7 0.6
CD1 A:ILE56 4.7 12.5 0.7
CG2 A:THR268 4.7 14.2 1.0
CB A:THR268 4.8 17.0 1.0
NE2 A:GLN107 4.8 16.2 1.0
SD A:MET291 4.9 16.2 0.4
N A:THR269 4.9 13.7 1.0
CE A:MET291 5.0 43.4 0.4
CE A:MET291 5.0 21.3 0.6

Iron binding site 2 out of 6 in 7o1t

Go back to Iron Binding Sites List in 7o1t
Iron binding site 2 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe409

b:16.8
occ:1.00
 FE1 A:SF4409 0.0 16.8 1.0
SG A:CYS70 2.3 15.4 1.0
S3 A:SF4409 2.3 15.8 1.0
S4 A:SF4409 2.3 16.3 1.0
S2 A:SF4409 2.3 15.7 1.0
FE3 A:SF4409 2.7 17.3 1.0
FE2 A:SF4409 2.7 17.2 1.0
FE4 A:SF4409 2.8 16.8 1.0
CB A:CYS70 3.0 15.8 1.0
S1 A:SF4409 3.8 16.1 1.0
CB A:LEU72 4.2 12.2 1.0
CA A:CYS70 4.5 13.1 1.0
SG A:5X8407 4.6 19.6 1.0
CD2 A:LEU305 4.7 20.9 1.0
SG A:CYS67 4.7 16.6 1.0
N A:ARG73 4.8 14.6 1.0
N A:5X8407 4.8 17.1 1.0
CB A:CYS67 4.8 16.2 1.0
N A:LEU72 4.8 12.7 1.0
CG A:LEU72 4.8 18.4 1.0
C A:LEU72 4.8 19.2 1.0
SG A:CYS63 4.8 14.4 1.0
OXT A:5X8407 4.8 16.9 1.0
CA A:LEU72 4.8 14.7 1.0
C8 A:5X8407 4.9 18.9 1.0

Iron binding site 3 out of 6 in 7o1t

Go back to Iron Binding Sites List in 7o1t
Iron binding site 3 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe409

b:17.2
occ:1.00
 FE2 A:SF4409 0.0 17.2 1.0
SG A:CYS63 2.2 14.4 1.0
S3 A:SF4409 2.3 15.8 1.0
S4 A:SF4409 2.3 16.3 1.0
S1 A:SF4409 2.3 16.1 1.0
FE1 A:SF4409 2.7 16.8 1.0
FE3 A:SF4409 2.7 17.3 1.0
FE4 A:SF4409 2.8 16.8 1.0
CB A:CYS63 3.3 14.5 1.0
S2 A:SF4409 3.9 15.7 1.0
N A:5X8407 4.1 17.1 1.0
CB A:LYS65 4.3 14.3 1.0
N A:GLU110 4.5 14.5 1.0
CA A:GLY109 4.6 15.2 1.0
CA A:CYS63 4.7 14.6 1.0
SG A:CYS67 4.8 16.6 1.0
SG A:CYS70 4.8 15.4 1.0
O A:LYS65 4.8 17.0 1.0
OXT A:5X8407 4.8 16.9 1.0
N A:LYS65 4.9 17.6 1.0
CB A:LEU72 4.9 12.2 1.0
C A:LYS65 4.9 15.1 1.0
CA A:LYS65 4.9 13.6 1.0

Iron binding site 4 out of 6 in 7o1t

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Iron binding site 4 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe409

b:17.3
occ:1.00
 FE3 A:SF4409 0.0 17.3 1.0
S1 A:SF4409 2.3 16.1 1.0
SG A:CYS67 2.3 16.6 1.0
S4 A:SF4409 2.3 16.3 1.0
S2 A:SF4409 2.3 15.7 1.0
FE1 A:SF4409 2.7 16.8 1.0
FE2 A:SF4409 2.7 17.2 1.0
FE4 A:SF4409 2.9 16.8 1.0
CB A:CYS67 3.2 16.2 1.0
S3 A:SF4409 3.9 15.8 1.0
O A:HOH607 3.9 19.2 1.0
OXT A:5X8407 4.1 16.9 1.0
N A:CYS67 4.2 17.2 1.0
CA A:CYS67 4.4 15.0 1.0
CB A:CYS70 4.4 15.8 1.0
CB A:LYS65 4.5 14.3 1.0
NH2 A:ARG172 4.5 16.4 1.0
OH A:TYR69 4.6 19.1 1.0
SG A:CYS70 4.6 15.4 1.0
SG A:CYS63 4.7 14.4 1.0
CE1 A:TYR69 4.8 15.5 1.0
O A:HOH642 4.9 18.0 1.0
CZ A:TYR69 5.0 15.7 1.0
N A:5X8407 5.0 17.1 1.0

Iron binding site 5 out of 6 in 7o1t

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Iron binding site 5 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe409

b:16.8
occ:1.00
 FE4 A:SF4409 0.0 16.8 1.0
OXT A:5X8407 2.2 16.9 1.0
N A:5X8407 2.3 17.1 1.0
S2 A:SF4409 2.3 15.7 1.0
S1 A:SF4409 2.3 16.1 1.0
S3 A:SF4409 2.3 15.8 1.0
FE2 A:SF4409 2.8 17.2 1.0
FE1 A:SF4409 2.8 16.8 1.0
FE3 A:SF4409 2.9 17.3 1.0
C A:5X8407 3.0 16.8 1.0
CA A:5X8407 3.1 17.9 1.0
SG A:5X8407 3.2 19.6 1.0
CB A:5X8407 3.8 19.3 1.0
S4 A:SF4409 4.0 16.3 1.0
O A:HOH607 4.1 19.2 1.0
O A:HOH642 4.2 18.0 1.0
O A:5X8407 4.2 16.6 1.0
SG A:CYS63 4.7 14.4 1.0
SG A:CYS70 4.9 15.4 1.0
C5' A:5X8407 4.9 19.5 1.0
SG A:CYS67 5.0 16.6 1.0

Iron binding site 6 out of 6 in 7o1t

Go back to Iron Binding Sites List in 7o1t
Iron binding site 6 out of 6 in the Fe(Co)2CNCL Species Bound [Hyde From T. Maritima


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Fe(Co)2CNCL Species Bound [Hyde From T. Maritima within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe411

b:16.2
occ:0.33
 C A:CYN414 1.7 17.0 0.3
C A:CMO413 1.8 15.8 0.3
C A:CMO412 1.8 15.4 0.5
I A:IOD415 1.8 33.3 0.1
CL A:CL410 2.4 19.9 0.3
SD A:MET224 2.4 18.7 0.5
I A:IOD415 2.8 19.8 0.4
N A:CYN414 2.9 17.9 0.3
O A:CMO413 3.0 16.7 0.3
O A:CMO412 3.1 14.9 0.5
CE A:MET224 3.2 26.1 0.5
CE A:MET224 3.5 15.1 0.5
CG A:MET224 3.5 17.1 0.5
CG A:MET224 3.5 20.6 0.5
CB A:MET224 3.6 11.9 0.5
CB A:MET224 4.0 34.8 0.5
SD A:MET224 4.1 21.1 0.5
SD A:MET291 4.6 24.7 0.6
CE A:MET291 4.6 43.4 0.4
CE A:MET291 4.8 21.3 0.6
NE A:ARG54 4.9 18.2 1.0

Reference:

Y.Nicolet, J.K.Rubach, M.C.Posewitz, P.Amara, C.Mathevon, M.Atta, M.Fontecave, J.C.Fontecilla-Camps. X-Ray Structure of the [Fefe]-Hydrogenase Maturase Hyde From Thermotoga Maritima* Journal of Biological V. 283 18861 2008CHEMISTRY.
DOI: 10.1074/JBC.M801161200
Page generated: Thu Aug 8 10:16:03 2024

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