Atomistry » Iron » PDB 3k9z-3kyw » 3ke9
Atomistry »
  Iron »
    PDB 3k9z-3kyw »
      3ke9 »

Iron in PDB 3ke9: Crystal Structure of Isph:Intermediate-Complex

Enzymatic activity of Crystal Structure of Isph:Intermediate-Complex

All present enzymatic activity of Crystal Structure of Isph:Intermediate-Complex:
1.17.1.2;

Protein crystallography data

The structure of Crystal Structure of Isph:Intermediate-Complex, PDB code: 3ke9 was solved by M.Groll, T.Graewert, I.Span, W.Eisenreich, A.Bacher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 69.610, 80.830, 112.690, 90.00, 90.00, 90.00
R / Rfree (%) 21.4 / 24.8

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Isph:Intermediate-Complex (pdb code 3ke9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Crystal Structure of Isph:Intermediate-Complex, PDB code: 3ke9:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 1 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe997

b:28.9
occ:1.00
FE1 A:SF4997 0.0 28.9 1.0
S2 A:SF4997 2.2 28.3 1.0
S4 A:SF4997 2.3 27.2 1.0
SG A:CYS96 2.3 27.7 1.0
S3 A:SF4997 2.3 26.6 1.0
FE2 A:SF4997 2.7 26.7 1.0
FE3 A:SF4997 2.8 28.5 1.0
FE4 A:SF4997 2.8 31.5 1.0
CB A:CYS96 3.2 25.1 1.0
S1 A:SF4997 3.9 28.4 1.0
CA A:GLY14 4.0 21.5 1.0
CB A:LEU98 4.3 24.7 1.0
N A:GLY14 4.3 20.6 1.0
CD2 A:LEU98 4.4 25.5 1.0
CA A:CYS96 4.6 23.6 1.0
SG A:CYS12 4.7 24.7 1.0
SG A:CYS197 4.9 24.4 1.0
C A:GLY14 5.0 20.4 1.0

Iron binding site 2 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 2 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe997

b:26.7
occ:1.00
FE2 A:SF4997 0.0 26.7 1.0
S3 A:SF4997 2.2 26.6 1.0
S4 A:SF4997 2.2 27.2 1.0
S1 A:SF4997 2.2 28.4 1.0
SG A:CYS12 2.3 24.7 1.0
FE1 A:SF4997 2.7 28.9 1.0
FE3 A:SF4997 2.7 28.5 1.0
FE4 A:SF4997 2.8 31.5 1.0
CB A:CYS12 3.3 22.5 1.0
S2 A:SF4997 3.8 28.3 1.0
N A:GLY14 4.1 20.6 1.0
C1 A:IPE998 4.2 25.6 1.0
CA A:GLY14 4.2 21.5 1.0
N A:VAL15 4.3 20.6 1.0
C2 A:IPE998 4.4 25.2 1.0
CB A:ALA268 4.5 23.5 1.0
CB A:ALA199 4.6 23.1 1.0
CG2 A:VAL15 4.6 19.4 1.0
CA A:CYS12 4.6 22.2 1.0
SG A:CYS96 4.7 27.7 1.0
C A:GLY14 4.7 20.4 1.0
SG A:CYS197 4.8 24.4 1.0
C A:CYS12 4.8 21.8 1.0
C3 A:IPE998 4.9 24.8 1.0
N A:ALA13 4.9 21.7 1.0

Iron binding site 3 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 3 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe997

b:28.5
occ:1.00
FE3 A:SF4997 0.0 28.5 1.0
SG A:CYS197 2.3 24.4 1.0
S2 A:SF4997 2.3 28.3 1.0
S1 A:SF4997 2.3 28.4 1.0
S4 A:SF4997 2.3 27.2 1.0
FE2 A:SF4997 2.7 26.7 1.0
FE1 A:SF4997 2.8 28.9 1.0
FE4 A:SF4997 2.8 31.5 1.0
CB A:CYS197 3.1 24.9 1.0
S3 A:SF4997 3.9 26.6 1.0
CB A:ALA199 4.2 23.1 1.0
OG1 A:THR200 4.5 21.3 1.0
CA A:CYS197 4.6 24.7 1.0
CD2 A:LEU98 4.6 25.5 1.0
CB A:THR167 4.8 24.1 1.0
OG1 A:THR167 4.8 24.3 1.0
SG A:CYS12 4.8 24.7 1.0
O A:HOH602 4.8 27.3 1.0
SG A:CYS96 4.9 27.7 1.0
N A:ALA199 4.9 23.3 1.0

Iron binding site 4 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 4 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe997

b:31.5
occ:1.00
FE4 A:SF4997 0.0 31.5 1.0
S1 A:SF4997 2.4 28.4 1.0
S2 A:SF4997 2.4 28.3 1.0
S3 A:SF4997 2.4 26.6 1.0
FE3 A:SF4997 2.8 28.5 1.0
FE2 A:SF4997 2.8 26.7 1.0
FE1 A:SF4997 2.8 28.9 1.0
C3 A:IPE998 2.8 24.8 1.0
C2 A:IPE998 2.9 25.2 1.0
C5 A:IPE998 3.0 25.9 1.0
C4 A:IPE998 3.6 24.2 1.0
C1 A:IPE998 3.7 25.6 1.0
OG1 A:THR167 3.9 24.3 1.0
S4 A:SF4997 3.9 27.2 1.0
CG2 A:THR168 4.4 22.1 1.0
SG A:CYS197 4.6 24.4 1.0
CB A:CYS96 4.7 25.1 1.0
CB A:THR167 4.7 24.1 1.0
SG A:CYS96 4.8 27.7 1.0
CG2 A:VAL99 4.8 22.3 1.0
SG A:CYS12 4.9 24.7 1.0

Iron binding site 5 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 5 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe997

b:27.2
occ:1.00
FE1 B:SF4997 0.0 27.2 1.0
S2 B:SF4997 2.2 28.1 1.0
S4 B:SF4997 2.3 25.9 1.0
SG B:CYS96 2.3 29.8 1.0
S3 B:SF4997 2.3 25.9 1.0
FE2 B:SF4997 2.7 26.7 1.0
FE3 B:SF4997 2.8 26.9 1.0
FE4 B:SF4997 2.8 31.4 1.0
CB B:CYS96 3.1 24.2 1.0
S1 B:SF4997 3.9 26.4 1.0
CA B:GLY14 3.9 20.7 1.0
CD2 B:LEU98 4.1 24.9 1.0
CB B:LEU98 4.2 25.7 1.0
N B:GLY14 4.3 19.7 1.0
CA B:CYS96 4.6 23.2 1.0
SG B:CYS12 4.7 23.1 1.0
CG B:LEU98 4.8 28.4 1.0
SG B:CYS197 4.9 23.4 1.0
C B:GLY14 5.0 19.9 1.0
N B:LEU98 5.0 24.7 1.0

Iron binding site 6 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 6 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe997

b:26.7
occ:1.00
FE2 B:SF4997 0.0 26.7 1.0
S4 B:SF4997 2.2 25.9 1.0
S3 B:SF4997 2.2 25.9 1.0
S1 B:SF4997 2.2 26.4 1.0
SG B:CYS12 2.3 23.1 1.0
FE1 B:SF4997 2.7 27.2 1.0
FE3 B:SF4997 2.7 26.9 1.0
FE4 B:SF4997 2.8 31.4 1.0
CB B:CYS12 3.3 24.1 1.0
S2 B:SF4997 3.8 28.1 1.0
N B:GLY14 4.1 19.7 1.0
CA B:GLY14 4.2 20.7 1.0
C1 B:IPE998 4.2 23.6 1.0
N B:VAL15 4.3 20.5 1.0
CG2 B:VAL15 4.4 17.2 1.0
C2 B:IPE998 4.5 23.2 1.0
CB B:ALA268 4.5 20.9 1.0
CB B:ALA199 4.6 19.7 1.0
CA B:CYS12 4.6 21.6 1.0
C B:GLY14 4.7 19.9 1.0
SG B:CYS96 4.7 29.8 1.0
SG B:CYS197 4.7 23.4 1.0
C B:CYS12 4.9 22.4 1.0
C3 B:IPE998 4.9 23.4 1.0
N B:ALA13 5.0 21.2 1.0

Iron binding site 7 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 7 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe997

b:26.9
occ:1.00
FE3 B:SF4997 0.0 26.9 1.0
SG B:CYS197 2.3 23.4 1.0
S2 B:SF4997 2.3 28.1 1.0
S4 B:SF4997 2.3 25.9 1.0
S1 B:SF4997 2.3 26.4 1.0
FE2 B:SF4997 2.7 26.7 1.0
FE1 B:SF4997 2.8 27.2 1.0
FE4 B:SF4997 2.8 31.4 1.0
CB B:CYS197 3.1 22.2 1.0
S3 B:SF4997 3.9 25.9 1.0
CB B:ALA199 4.2 19.7 1.0
CD2 B:LEU98 4.5 24.9 1.0
CA B:CYS197 4.5 22.6 1.0
OG1 B:THR200 4.6 21.4 1.0
CB B:THR167 4.7 24.8 1.0
OG1 B:THR167 4.8 23.7 1.0
O B:HOH554 4.8 29.9 1.0
SG B:CYS12 4.8 23.1 1.0
SG B:CYS96 4.9 29.8 1.0
N B:ALA199 4.9 20.5 1.0
CB B:LEU98 5.0 25.7 1.0

Iron binding site 8 out of 8 in 3ke9

Go back to Iron Binding Sites List in 3ke9
Iron binding site 8 out of 8 in the Crystal Structure of Isph:Intermediate-Complex


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 Isph:Intermediate-Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe997

b:31.4
occ:1.00
FE4 B:SF4997 0.0 31.4 1.0
S2 B:SF4997 2.4 28.1 1.0
S1 B:SF4997 2.4 26.4 1.0
S3 B:SF4997 2.4 25.9 1.0
C3 B:IPE998 2.8 23.4 1.0
FE3 B:SF4997 2.8 26.9 1.0
FE2 B:SF4997 2.8 26.7 1.0
FE1 B:SF4997 2.8 27.2 1.0
C2 B:IPE998 2.9 23.2 1.0
C5 B:IPE998 3.0 26.3 1.0
C4 B:IPE998 3.4 24.1 1.0
C1 B:IPE998 3.7 23.6 1.0
OG1 B:THR167 3.9 23.7 1.0
S4 B:SF4997 3.9 25.9 1.0
CG2 B:THR168 4.4 22.1 1.0
SG B:CYS197 4.7 23.4 1.0
CB B:CYS96 4.7 24.2 1.0
CB B:THR167 4.7 24.8 1.0
SG B:CYS96 4.8 29.8 1.0
CG2 B:VAL99 4.8 20.5 1.0
SG B:CYS12 4.9 23.1 1.0

Reference:

T.Grawert, I.Span, W.Eisenreich, F.Rohdich, J.Eppinger, A.Bacher, M.Groll. Probing the Reaction Mechanism of Isph Protein By X-Ray Structure Analysis. Proc.Natl.Acad.Sci.Usa V. 107 1077 2010.
ISSN: ISSN 0027-8424
PubMed: 20080550
DOI: 10.1073/PNAS.0913045107
Page generated: Sun Aug 4 13:54:22 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy