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Iron in PDB 4s38: Ispg in Complex Mecpp

Enzymatic activity of Ispg in Complex Mecpp

All present enzymatic activity of Ispg in Complex Mecpp:
1.17.7.1;

Protein crystallography data

The structure of Ispg in Complex Mecpp, PDB code: 4s38 was solved by F.Quitterer, A.Frank, K.Wang, R.Guodong, B.O'dowd, J.Li, F.Guerra, S.Abdel-Azeim, A.Bacher, J.Eppinger, E.Oldfield, M.Groll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.40
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.730, 62.140, 87.040, 90.00, 127.60, 90.00
R / Rfree (%) 11.1 / 14.3

Iron Binding Sites:

The binding sites of Iron atom in the Ispg in Complex Mecpp (pdb code 4s38). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Ispg in Complex Mecpp, PDB code: 4s38:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4s38

Go back to Iron Binding Sites List in 4s38
Iron binding site 1 out of 4 in the Ispg in Complex Mecpp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ispg in Complex Mecpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:13.0
occ:1.00
FE1 A:SF4901 0.0 13.0 1.0
S3 A:SF4901 2.3 12.4 1.0
S2 A:SF4901 2.3 13.1 1.0
SG A:CYS300 2.3 13.0 1.0
S4 A:SF4901 2.3 13.0 1.0
FE3 A:SF4901 2.6 13.3 1.0
FE2 A:SF4901 2.7 12.5 1.0
FE4 A:SF4901 2.8 12.4 1.0
CB A:CYS300 3.3 13.9 1.0
N A:CYS300 3.6 13.7 1.0
S1 A:SF4901 3.9 12.5 1.0
CA A:CYS300 4.0 13.0 1.0
C A:GLY299 4.1 12.9 1.0
CB A:ARG302 4.4 14.6 1.0
OG1 A:THR303 4.4 23.9 1.0
O1 A:CDI900 4.5 12.9 1.0
CA A:GLY299 4.5 13.2 1.0
SG A:CYS343 4.5 13.6 1.0
C5 A:CDI900 4.5 12.6 1.0
CD A:ARG302 4.7 14.0 1.0
C A:CYS300 4.7 14.7 1.0
O A:GLY299 4.7 16.0 1.0
CG A:ARG302 4.8 14.9 1.0
O A:HOH1043 4.8 13.6 1.0
SG A:CYS297 4.9 12.3 1.0
N A:GLY299 5.0 12.8 1.0
N A:ARG302 5.0 14.1 1.0

Iron binding site 2 out of 4 in 4s38

Go back to Iron Binding Sites List in 4s38
Iron binding site 2 out of 4 in the Ispg in Complex Mecpp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ispg in Complex Mecpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:12.5
occ:1.00
FE2 A:SF4901 0.0 12.5 1.0
O1 A:CDI900 1.9 12.9 1.0
S4 A:SF4901 2.3 13.0 1.0
S1 A:SF4901 2.3 12.5 1.0
S3 A:SF4901 2.3 12.4 1.0
FE4 A:SF4901 2.7 12.4 1.0
FE3 A:SF4901 2.7 13.3 1.0
FE1 A:SF4901 2.7 13.0 1.0
C2 A:CDI900 3.1 12.0 1.0
C1 A:CDI900 3.5 11.8 1.0
C5 A:CDI900 3.6 12.6 1.0
C3 A:CDI900 3.8 12.1 1.0
S2 A:SF4901 3.9 13.1 1.0
C4 A:CDI900 4.0 12.1 1.0
OD1 A:ASN346 4.2 12.7 1.0
CB A:CYS297 4.4 12.2 1.0
SG A:CYS297 4.6 12.3 1.0
OA3 A:CDI900 4.7 11.2 1.0
SG A:CYS300 4.8 13.0 1.0
SG A:CYS343 4.8 13.6 1.0
O2 A:CDI900 4.9 13.1 1.0
CB A:VAL345 4.9 12.9 1.0
CB A:ASN346 5.0 11.2 1.0
CG1 A:VAL345 5.0 13.0 1.0
CG A:ASN346 5.0 11.6 1.0

Iron binding site 3 out of 4 in 4s38

Go back to Iron Binding Sites List in 4s38
Iron binding site 3 out of 4 in the Ispg in Complex Mecpp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Ispg in Complex Mecpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:13.3
occ:1.00
FE3 A:SF4901 0.0 13.3 1.0
S1 A:SF4901 2.3 12.5 1.0
S2 A:SF4901 2.3 13.1 1.0
S4 A:SF4901 2.3 13.0 1.0
SG A:CYS343 2.3 13.6 1.0
FE1 A:SF4901 2.6 13.0 1.0
FE4 A:SF4901 2.7 12.4 1.0
FE2 A:SF4901 2.7 12.5 1.0
CB A:CYS343 3.4 13.5 1.0
N A:CYS343 3.7 12.5 1.0
S3 A:SF4901 3.9 12.4 1.0
CA A:CYS343 3.9 13.5 1.0
CB A:VAL345 4.2 12.9 1.0
O A:CYS343 4.3 12.7 1.0
C A:CYS343 4.3 13.5 1.0
C A:GLY342 4.4 12.6 1.0
O1 A:CDI900 4.4 12.9 1.0
CD A:ARG302 4.6 14.0 1.0
SG A:CYS300 4.6 13.0 1.0
CB A:ARG302 4.6 14.6 1.0
CG2 A:VAL345 4.6 13.8 1.0
N A:VAL345 4.7 12.5 1.0
NE A:ARG302 4.8 14.7 1.0
SG A:CYS297 4.8 12.3 1.0
CA A:GLY342 4.9 13.4 1.0
N A:ASN346 4.9 12.7 1.0
CA A:VAL345 5.0 12.4 1.0
O A:GLY342 5.0 14.5 1.0

Iron binding site 4 out of 4 in 4s38

Go back to Iron Binding Sites List in 4s38
Iron binding site 4 out of 4 in the Ispg in Complex Mecpp


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Ispg in Complex Mecpp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe901

b:12.4
occ:1.00
FE4 A:SF4901 0.0 12.4 1.0
S2 A:SF4901 2.3 13.1 1.0
S1 A:SF4901 2.3 12.5 1.0
S3 A:SF4901 2.3 12.4 1.0
SG A:CYS297 2.3 12.3 1.0
FE2 A:SF4901 2.7 12.5 1.0
FE3 A:SF4901 2.7 13.3 1.0
FE1 A:SF4901 2.8 13.0 1.0
CB A:CYS297 3.2 12.2 1.0
S4 A:SF4901 3.9 13.0 1.0
N A:GLY299 4.0 12.8 1.0
N A:GLY342 4.0 12.2 1.0
CA A:GLY299 4.1 13.2 1.0
CA A:GLY342 4.1 13.4 1.0
O1 A:CDI900 4.3 12.9 1.0
N A:CYS343 4.3 12.5 1.0
C A:GLY342 4.5 12.6 1.0
CA A:CYS297 4.6 10.5 1.0
C A:GLY299 4.6 12.9 1.0
OG1 A:THR303 4.6 23.9 1.0
N A:CYS300 4.7 13.7 1.0
SG A:CYS343 4.8 13.6 1.0
C A:CYS297 4.9 11.3 1.0
N A:PRO298 4.9 11.4 1.0

Reference:

F.Quitterer, A.Frank, K.Wang, G.Rao, B.O'dowd, J.Li, F.Guerra, S.Abdel-Azeim, A.Bacher, J.Eppinger, E.Oldfield, M.Groll. Atomic Resolution Structures of Discrete Stages on the Reaction Coordinate of the [FE4S4] Enzyme Ispg (Gcpe). J.Mol.Biol. 2015.
ISSN: ESSN 1089-8638
PubMed: 25868383
DOI: 10.1016/J.JMB.2015.04.002
Page generated: Sun Dec 13 15:46:40 2020

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