Atomistry » Iron » PDB 8csp-8dh6 » 8cwr
Atomistry »
  Iron »
    PDB 8csp-8dh6 »
      8cwr »

Iron in PDB 8cwr: Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3

Enzymatic activity of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3

All present enzymatic activity of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3:
2.7.7.6;

Protein crystallography data

The structure of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3, PDB code: 8cwr was solved by T.Wan, L.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.87 / 1.50
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 120.809, 120.809, 31.758, 90, 90, 120
R / Rfree (%) 18.3 / 21.2

Other elements in 8cwr:

The structure of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 also contains other interesting chemical elements:

Nickel (Ni) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 (pdb code 8cwr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3, PDB code: 8cwr:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 8cwr

Go back to Iron Binding Sites List in 8cwr
Iron binding site 1 out of 4 in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:35.1
occ:1.00
 FE1 A:SF4101 0.0 35.1 1.0
S2 A:SF4101 2.2 31.6 1.0
S3 A:SF4101 2.3 35.0 1.0
SG A:CYS53 2.3 39.5 1.0
S4 A:SF4101 2.3 34.2 1.0
FE4 A:SF4101 2.7 33.2 1.0
FE3 A:SF4101 2.7 31.8 1.0
FE2 A:SF4101 2.8 36.2 1.0
CB A:CYS53 3.3 41.0 1.0
CA A:CYS53 3.6 42.1 1.0
S1 A:SF4101 3.9 33.0 1.0
N A:CYS53 4.1 45.9 1.0
N A:GLY77 4.2 29.6 1.0
CE2 A:PHE31 4.2 38.2 1.0
N A:GLY78 4.5 34.9 1.0
SG A:CYS62 4.7 29.2 1.0
CB A:CYS56 4.7 48.2 1.0
SG A:CYS23 4.8 34.6 1.0
CA A:GLY77 4.8 35.4 1.0
SG A:CYS56 4.8 40.2 1.0
C A:CYS53 4.9 48.2 1.0
CZ A:PHE31 4.9 37.8 1.0
C A:MET52 5.0 52.8 1.0

Iron binding site 2 out of 4 in 8cwr

Go back to Iron Binding Sites List in 8cwr
Iron binding site 2 out of 4 in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:36.2
occ:1.00
 FE2 A:SF4101 0.0 36.2 1.0
S1 A:SF4101 2.3 33.0 1.0
S4 A:SF4101 2.3 34.2 1.0
S3 A:SF4101 2.3 35.0 1.0
SG A:CYS56 2.3 40.2 1.0
FE3 A:SF4101 2.7 31.8 1.0
FE4 A:SF4101 2.7 33.2 1.0
FE1 A:SF4101 2.8 35.1 1.0
CB A:CYS56 3.0 48.2 1.0
S2 A:SF4101 3.9 31.6 1.0
N A:LEU22 4.1 41.7 1.0
CG2 A:VAL58 4.3 37.9 1.0
CA A:GLY21 4.3 38.3 1.0
CA A:CYS56 4.5 53.9 1.0
CA A:CYS53 4.7 42.1 1.0
SG A:CYS23 4.7 34.6 1.0
C A:GLY21 4.7 40.7 1.0
N A:ILE59 4.7 43.9 1.0
CA A:ILE59 4.8 45.4 1.0
CB A:CYS62 4.8 35.7 1.0
SG A:CYS62 4.8 29.2 1.0
SG A:CYS53 4.8 39.5 1.0
C A:VAL58 4.9 39.9 1.0
CB A:LEU22 4.9 46.4 1.0
N A:CYS23 5.0 41.9 1.0

Iron binding site 3 out of 4 in 8cwr

Go back to Iron Binding Sites List in 8cwr
Iron binding site 3 out of 4 in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:31.8
occ:1.00
 FE3 A:SF4101 0.0 31.8 1.0
S1 A:SF4101 2.2 33.0 1.0
S4 A:SF4101 2.3 34.2 1.0
S2 A:SF4101 2.3 31.6 1.0
SG A:CYS62 2.3 29.2 1.0
FE2 A:SF4101 2.7 36.2 1.0
FE4 A:SF4101 2.7 33.2 1.0
FE1 A:SF4101 2.7 35.1 1.0
CB A:CYS62 3.0 35.7 1.0
N A:GLY77 3.8 29.6 1.0
S3 A:SF4101 3.8 35.0 1.0
CG B:PRO517 4.0 31.6 1.0
CZ3 A:TRP17 4.5 34.7 1.0
CA A:CYS62 4.5 29.9 1.0
CA A:GLY77 4.5 35.4 1.0
SG A:CYS53 4.7 39.5 1.0
SG A:CYS23 4.8 34.6 1.0
SG A:CYS56 4.8 40.2 1.0
C A:TRP76 4.8 32.6 1.0
CA A:TRP76 4.8 27.4 1.0

Iron binding site 4 out of 4 in 8cwr

Go back to Iron Binding Sites List in 8cwr
Iron binding site 4 out of 4 in the Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Complex Structure of WHIB3 and the SIGMAAR4-Rnap Beta Flap Tip Chimera in Space Group R3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe101

b:33.2
occ:1.00
 FE4 A:SF4101 0.0 33.2 1.0
S3 A:SF4101 2.3 35.0 1.0
SG A:CYS23 2.3 34.6 1.0
S1 A:SF4101 2.3 33.0 1.0
S2 A:SF4101 2.3 31.6 1.0
FE3 A:SF4101 2.7 31.8 1.0
FE1 A:SF4101 2.7 35.1 1.0
FE2 A:SF4101 2.7 36.2 1.0
CB A:CYS23 3.4 37.8 1.0
CG B:PRO517 3.8 31.6 1.0
S4 A:SF4101 3.8 34.2 1.0
N A:CYS23 3.9 41.9 1.0
CA A:CYS23 4.3 40.5 1.0
CE1 B:HIS516 4.4 32.0 1.0
CE2 A:PHE31 4.5 38.2 1.0
CB B:PRO517 4.5 30.3 1.0
N A:LEU22 4.6 41.7 1.0
CZ A:PHE31 4.6 37.8 1.0
SG A:CYS56 4.7 40.2 1.0
SG A:CYS62 4.8 29.2 1.0
CA A:GLY21 4.8 38.3 1.0
SG A:CYS53 4.9 39.5 1.0
NE2 B:HIS516 4.9 34.0 1.0
C A:GLY21 4.9 40.7 1.0

Reference:

T.Wan, M.Horova, V.Khetrapal, S.Li, C.Jones, A.Schacht, X.Sun, L.Zhang. Structural Basis of Dna Binding By the Whib-Like Transcription Factor WHIB3 in Mycobacterium Tuberculosis. J.Biol.Chem. 04777 2023.
ISSN: ESSN 1083-351X
PubMed: 37142222
DOI: 10.1016/J.JBC.2023.104777
Page generated: Fri Aug 9 23:03:58 2024

Last articles

Zn in 1MC5
Zn in 1MFM
Zn in 1MA0
Zn in 1MED
Zn in 1MEA
Zn in 1MBX
Zn in 1MA3
Zn in 1M9O
Zn in 1M9R
Zn in 1M9Q
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy