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Iron in PDB 4s3a: Ispg in Complex with Intermediate I

Enzymatic activity of Ispg in Complex with Intermediate I

All present enzymatic activity of Ispg in Complex with Intermediate I:
1.17.7.1;

Protein crystallography data

The structure of Ispg in Complex with Intermediate I, PDB code: 4s3a was solved by 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, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 111.530, 61.630, 86.160, 90.00, 127.03, 90.00
R / Rfree (%) 11.9 / 16

Iron Binding Sites:

The binding sites of Iron atom in the Ispg in Complex with Intermediate I (pdb code 4s3a). 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 with Intermediate I, PDB code: 4s3a:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 4s3a

Go back to Iron Binding Sites List in 4s3a
Iron binding site 1 out of 4 in the Ispg in Complex with Intermediate I


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 with Intermediate I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe902

b:17.8
occ:0.70
 FE1 A:SF4902 0.0 17.8 0.7
S3 A:SF4902 2.2 16.3 0.7
S2 A:SF4902 2.2 17.9 0.7
S4 A:SF4902 2.2 17.4 0.7
SG A:CYS300 2.4 18.4 1.0
FE3 A:SF4902 2.6 18.4 0.7
FE2 A:SF4902 2.6 18.8 0.7
FE4 A:SF4902 2.7 17.5 0.7
CB A:CYS300 3.4 18.5 1.0
N A:CYS300 3.7 17.4 1.0
S1 A:SF4902 3.8 16.9 0.7
CA A:CYS300 4.1 15.1 1.0
C A:GLY299 4.1 18.0 1.0
O1 A:43Q901 4.3 23.2 0.7
OG1 A:THR303 4.4 39.9 1.0
CB A:ARG302 4.4 20.8 1.0
C2 A:43Q901 4.5 19.5 0.7
SG A:CYS343 4.5 18.3 1.0
CA A:GLY299 4.6 18.2 1.0
O A:GLY299 4.7 21.4 1.0
CD A:ARG302 4.7 19.0 1.0
C A:CYS300 4.8 16.4 1.0
CG A:ARG302 4.8 18.9 1.0
C3 A:43Q901 4.8 19.9 0.7
SG A:CYS297 4.9 16.2 1.0
C1 A:43Q901 4.9 25.5 0.7
N A:GLY299 5.0 15.9 1.0

Iron binding site 2 out of 4 in 4s3a

Go back to Iron Binding Sites List in 4s3a
Iron binding site 2 out of 4 in the Ispg in Complex with Intermediate I


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 with Intermediate I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe902

b:18.8
occ:0.70
 FE2 A:SF4902 0.0 18.8 0.7
O1 A:43Q901 1.9 23.2 0.7
S4 A:SF4902 2.2 17.4 0.7
S3 A:SF4902 2.2 16.3 0.7
S1 A:SF4902 2.2 16.9 0.7
FE4 A:SF4902 2.5 17.5 0.7
FE1 A:SF4902 2.6 17.8 0.7
FE3 A:SF4902 2.6 18.4 0.7
C3 A:43Q901 2.8 19.9 0.7
C1 A:43Q901 3.4 25.5 0.7
C4 A:43Q901 3.6 23.1 0.7
C2 A:43Q901 3.7 19.5 0.7
S2 A:SF4902 3.7 17.9 0.7
C A:43Q901 4.2 21.2 0.7
OD1 A:ASN346 4.2 18.6 1.0
CB A:CYS297 4.4 15.9 1.0
SG A:CYS297 4.5 16.2 1.0
SG A:CYS300 4.7 18.4 1.0
O2 A:43Q901 4.8 20.8 0.7
SG A:CYS343 4.8 18.3 1.0
CB A:VAL345 4.9 16.6 1.0
O A:43Q901 5.0 21.8 0.7
CB A:ASN346 5.0 14.6 1.0

Iron binding site 3 out of 4 in 4s3a

Go back to Iron Binding Sites List in 4s3a
Iron binding site 3 out of 4 in the Ispg in Complex with Intermediate I


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 with Intermediate I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe902

b:18.4
occ:0.70
 FE3 A:SF4902 0.0 18.4 0.7
S4 A:SF4902 2.2 17.4 0.7
S1 A:SF4902 2.2 16.9 0.7
S2 A:SF4902 2.2 17.9 0.7
SG A:CYS343 2.4 18.3 1.0
FE1 A:SF4902 2.6 17.8 0.7
FE4 A:SF4902 2.6 17.5 0.7
FE2 A:SF4902 2.6 18.8 0.7
CB A:CYS343 3.4 19.9 1.0
N A:CYS343 3.7 18.7 1.0
S3 A:SF4902 3.8 16.3 0.7
CA A:CYS343 4.0 19.1 1.0
CB A:VAL345 4.3 16.6 1.0
O1 A:43Q901 4.3 23.2 0.7
C A:CYS343 4.3 17.9 1.0
O A:CYS343 4.3 17.1 1.0
C A:GLY342 4.4 18.4 1.0
SG A:CYS300 4.6 18.4 1.0
CD A:ARG302 4.6 19.0 1.0
CB A:ARG302 4.6 20.8 1.0
CG2 A:VAL345 4.7 18.3 1.0
N A:VAL345 4.7 17.2 1.0
NE A:ARG302 4.8 20.4 1.0
SG A:CYS297 4.8 16.2 1.0
N A:ASN346 4.9 17.5 1.0
CA A:GLY342 4.9 17.2 1.0
CA A:VAL345 5.0 15.9 1.0

Iron binding site 4 out of 4 in 4s3a

Go back to Iron Binding Sites List in 4s3a
Iron binding site 4 out of 4 in the Ispg in Complex with Intermediate I


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 with Intermediate I within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe902

b:17.5
occ:0.70
 FE4 A:SF4902 0.0 17.5 0.7
S2 A:SF4902 2.2 17.9 0.7
S1 A:SF4902 2.2 16.9 0.7
S3 A:SF4902 2.2 16.3 0.7
SG A:CYS297 2.4 16.2 1.0
FE2 A:SF4902 2.5 18.8 0.7
FE3 A:SF4902 2.6 18.4 0.7
FE1 A:SF4902 2.7 17.8 0.7
CB A:CYS297 3.2 15.9 1.0
S4 A:SF4902 3.7 17.4 0.7
O1 A:43Q901 4.1 23.2 0.7
N A:GLY342 4.1 17.3 1.0
N A:GLY299 4.2 15.9 1.0
CA A:GLY342 4.2 17.2 1.0
CA A:GLY299 4.2 18.2 1.0
N A:CYS343 4.4 18.7 1.0
C A:GLY342 4.5 18.4 1.0
CA A:CYS297 4.6 13.8 1.0
C A:GLY299 4.7 18.0 1.0
OG1 A:THR303 4.7 39.9 1.0
N A:CYS300 4.8 17.4 1.0
SG A:CYS343 4.8 18.3 1.0
C A:CYS297 4.9 13.8 1.0
N A:PRO298 5.0 14.3 1.0
SG A:CYS300 5.0 18.4 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: Mon Aug 5 10:16:21 2024

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