Atomistry » Iron » PDB 7oqy-7p7j » 7p4q
Atomistry »
  Iron »
    PDB 7oqy-7p7j »
      7p4q »

Iron in PDB 7p4q: Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate

Enzymatic activity of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate

All present enzymatic activity of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate:
2.5.1.72;

Protein crystallography data

The structure of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate, PDB code: 7p4q was solved by A.Volbeda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 59.15 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.74, 49.33, 62.24, 90, 108.14, 90
R / Rfree (%) 17.9 / 22.3

Other elements in 7p4q:

The structure of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate (pdb code 7p4q). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 7 binding sites of Iron where determined in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate, PDB code: 7p4q:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7;

Iron binding site 1 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 1 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:39.1
occ:0.65
 FE1 A:SF4301 0.0 39.1 0.7
FE1 A:F3S303 0.3 41.2 0.3
S3 A:F3S303 2.2 48.2 0.3
S4 A:SF4301 2.3 31.2 0.7
S3 A:SF4301 2.3 48.9 0.7
S2 A:SF4301 2.3 46.7 0.7
S2 A:F3S303 2.4 47.2 0.3
S1 A:F3S303 2.4 32.6 0.3
SG A:CYS168 2.4 40.4 1.0
FE4 A:F3S303 2.7 48.1 0.3
FE3 A:SF4301 2.7 40.7 0.7
FE3 A:F3S303 2.7 37.9 0.3
FE2 A:SF4301 2.8 38.0 0.7
FE4 A:SF4301 2.8 48.9 0.7
CB A:CYS168 3.4 36.5 1.0
S1 A:SF4301 3.9 47.6 0.7
S4 A:F3S303 4.0 42.0 0.3
CG2 A:VAL170 4.1 37.7 1.0
CA A:CYS168 4.2 34.4 1.0
CB A:VAL170 4.3 37.8 1.0
OA1 A:FLC302 4.4 44.1 1.0
OE1 A:GLU195 4.6 46.6 1.0
ND1 A:HIS171 4.6 33.0 1.0
N A:VAL170 4.7 37.2 1.0
C A:CYS168 4.8 37.1 1.0
CD A:PRO169 4.8 40.5 1.0
CE1 A:HIS171 4.9 26.3 1.0
N A:PRO169 4.9 39.8 1.0
OE2 A:GLU195 4.9 62.5 1.0

Iron binding site 2 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 2 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:38.0
occ:0.65
 FE2 A:SF4301 0.0 38.0 0.7
FE3 A:F3S303 0.0 37.9 0.3
S1 A:F3S303 2.2 32.6 0.3
S4 A:SF4301 2.3 31.2 0.7
S3 A:SF4301 2.3 48.9 0.7
S1 A:SF4301 2.3 47.6 0.7
S4 A:F3S303 2.3 42.0 0.3
S3 A:F3S303 2.3 48.2 0.3
SG A:CYS254 2.5 29.7 1.0
FE1 A:F3S303 2.7 41.2 0.3
FE4 A:F3S303 2.7 48.1 0.3
FE3 A:SF4301 2.7 40.7 0.7
FE1 A:SF4301 2.8 39.1 0.7
FE4 A:SF4301 2.8 48.9 0.7
CB A:CYS254 3.4 23.3 1.0
S2 A:SF4301 3.9 46.7 0.7
S2 A:F3S303 3.9 47.2 0.3
CG2 A:VAL170 4.3 37.7 1.0
O A:HOH598 4.4 32.8 1.0
CA A:CYS254 4.6 30.5 1.0
CG A:MET257 4.9 24.1 1.0
SG A:CYS81 5.0 44.1 1.0

Iron binding site 3 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 3 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:40.7
occ:0.65
 FE3 A:SF4301 0.0 40.7 0.7
S1 A:F3S303 2.0 32.6 0.3
S2 A:SF4301 2.3 46.7 0.7
S1 A:SF4301 2.3 47.6 0.7
S4 A:SF4301 2.3 31.2 0.7
FE1 A:F3S303 2.5 41.2 0.3
S2 A:F3S303 2.5 47.2 0.3
FE3 A:F3S303 2.7 37.9 0.3
FE4 A:SF4301 2.7 48.9 0.7
FE1 A:SF4301 2.7 39.1 0.7
FE2 A:SF4301 2.7 38.0 0.7
S4 A:F3S303 2.8 42.0 0.3
OA1 A:FLC302 2.9 44.1 1.0
FE4 A:F3S303 3.0 48.1 0.3
OA2 A:FLC302 3.0 48.4 1.0
CAC A:FLC302 3.2 44.6 1.0
S3 A:SF4301 3.9 48.9 0.7
ND2 A:ASN109 3.9 46.6 1.0
S3 A:F3S303 4.0 48.2 0.3
CE2 A:TYR21 4.1 24.1 1.0
CD2 A:TYR21 4.4 23.3 1.0
CA A:FLC302 4.4 42.1 1.0
SG A:CYS168 4.8 40.4 1.0
SG A:CYS254 4.8 29.7 1.0
SG A:CYS81 4.8 44.1 1.0
CE A:MET257 4.9 23.7 1.0
OE1 A:GLU195 5.0 46.6 1.0

Iron binding site 4 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 4 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe301

b:48.9
occ:0.65
 FE4 A:SF4301 0.0 48.9 0.7
FE4 A:F3S303 0.4 48.1 0.3
S2 A:F3S303 2.0 47.2 0.3
S4 A:F3S303 2.2 42.0 0.3
S1 A:SF4301 2.3 47.6 0.7
S2 A:SF4301 2.3 46.7 0.7
S3 A:SF4301 2.3 48.9 0.7
SG A:CYS81 2.5 44.1 1.0
S3 A:F3S303 2.6 48.2 0.3
FE3 A:F3S303 2.7 37.9 0.3
FE1 A:F3S303 2.7 41.2 0.3
FE3 A:SF4301 2.7 40.7 0.7
FE1 A:SF4301 2.8 39.1 0.7
FE2 A:SF4301 2.8 38.0 0.7
CB A:CYS81 3.6 36.3 1.0
ND2 A:ASN109 3.8 46.6 1.0
S1 A:F3S303 3.8 32.6 0.3
S4 A:SF4301 3.9 31.2 0.7
CA A:CYS81 4.1 29.7 1.0
OD1 A:ASN109 4.4 47.5 1.0
CD A:PRO82 4.4 32.8 1.0
CG A:ASN109 4.5 47.1 1.0
CB A:MET83 4.6 43.0 1.0
C A:CYS81 4.7 32.1 1.0
N A:PRO82 4.7 29.3 1.0
OA2 A:FLC302 4.8 48.4 1.0
N A:MET83 4.8 41.0 1.0
SG A:CYS168 5.0 40.4 1.0

Iron binding site 5 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 5 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe303

b:41.2
occ:0.35
 FE1 A:F3S303 0.0 41.2 0.3
FE1 A:SF4301 0.3 39.1 0.7
S4 A:SF4301 2.1 31.2 0.7
S2 A:SF4301 2.2 46.7 0.7
S1 A:F3S303 2.2 32.6 0.3
S2 A:F3S303 2.3 47.2 0.3
S3 A:F3S303 2.3 48.2 0.3
S3 A:SF4301 2.4 48.9 0.7
FE3 A:SF4301 2.5 40.7 0.7
SG A:CYS168 2.6 40.4 1.0
FE3 A:F3S303 2.7 37.9 0.3
FE2 A:SF4301 2.7 38.0 0.7
FE4 A:F3S303 2.7 48.1 0.3
FE4 A:SF4301 2.7 48.9 0.7
CB A:CYS168 3.5 36.5 1.0
S1 A:SF4301 3.7 47.6 0.7
S4 A:F3S303 3.9 42.0 0.3
OA1 A:FLC302 4.2 44.1 1.0
CG2 A:VAL170 4.2 37.7 1.0
CB A:VAL170 4.3 37.8 1.0
CA A:CYS168 4.4 34.4 1.0
OE1 A:GLU195 4.5 46.6 1.0
ND1 A:HIS171 4.6 33.0 1.0
CE1 A:HIS171 4.8 26.3 1.0
N A:VAL170 4.9 37.2 1.0
OE2 A:GLU195 4.9 62.5 1.0
SG A:CYS254 5.0 29.7 1.0
C A:CYS168 5.0 37.1 1.0
CAC A:FLC302 5.0 44.6 1.0

Iron binding site 6 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 6 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe303

b:37.9
occ:0.35
 FE3 A:F3S303 0.0 37.9 0.3
FE2 A:SF4301 0.0 38.0 0.7
S1 A:F3S303 2.2 32.6 0.3
S1 A:SF4301 2.3 47.6 0.7
S3 A:SF4301 2.3 48.9 0.7
S4 A:F3S303 2.3 42.0 0.3
S4 A:SF4301 2.3 31.2 0.7
S3 A:F3S303 2.3 48.2 0.3
SG A:CYS254 2.5 29.7 1.0
FE4 A:F3S303 2.6 48.1 0.3
FE1 A:F3S303 2.7 41.2 0.3
FE4 A:SF4301 2.7 48.9 0.7
FE3 A:SF4301 2.7 40.7 0.7
FE1 A:SF4301 2.7 39.1 0.7
CB A:CYS254 3.5 23.3 1.0
S2 A:SF4301 3.9 46.7 0.7
S2 A:F3S303 3.9 47.2 0.3
CG2 A:VAL170 4.3 37.7 1.0
O A:HOH598 4.4 32.8 1.0
CA A:CYS254 4.6 30.5 1.0
CG A:MET257 4.9 24.1 1.0
SG A:CYS81 5.0 44.1 1.0
CD A:PRO82 5.0 32.8 1.0
SG A:CYS168 5.0 40.4 1.0

Iron binding site 7 out of 7 in 7p4q

Go back to Iron Binding Sites List in 7p4q
Iron binding site 7 out of 7 in the Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Structure of the Quinolinate Synthase S124A Variant Complexed with Citrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe303

b:48.1
occ:0.35
 FE4 A:F3S303 0.0 48.1 0.3
FE4 A:SF4301 0.4 48.9 0.7
S3 A:SF4301 2.0 48.9 0.7
S2 A:F3S303 2.3 47.2 0.3
S4 A:F3S303 2.3 42.0 0.3
S3 A:F3S303 2.3 48.2 0.3
S1 A:SF4301 2.4 47.6 0.7
S2 A:SF4301 2.5 46.7 0.7
SG A:CYS81 2.5 44.1 1.0
FE3 A:F3S303 2.6 37.9 0.3
FE2 A:SF4301 2.7 38.0 0.7
FE1 A:F3S303 2.7 41.2 0.3
FE1 A:SF4301 2.7 39.1 0.7
FE3 A:SF4301 3.0 40.7 0.7
CB A:CYS81 3.6 36.3 1.0
S1 A:F3S303 3.9 32.6 0.3
S4 A:SF4301 3.9 31.2 0.7
CA A:CYS81 4.0 29.7 1.0
CD A:PRO82 4.1 32.8 1.0
ND2 A:ASN109 4.1 46.6 1.0
N A:PRO82 4.5 29.3 1.0
CB A:MET83 4.5 43.0 1.0
C A:CYS81 4.5 32.1 1.0
N A:MET83 4.6 41.0 1.0
OD1 A:ASN109 4.6 47.5 1.0
CG A:ASN109 4.8 47.1 1.0
SG A:CYS168 4.9 40.4 1.0
SG A:CYS254 5.0 29.7 1.0

Reference:

H.Basbous, A.Volbeda, P.Amara, R.Rohac, L.Martin, S.Ollagnier De Choudens, J.C.Fontecilla-Camps. Essential Transient Extension of the Active Site Cavity During Quinolinic Acid Synthesis By Nada To Be Published.
Page generated: Thu Aug 8 14:56:39 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy