Atomistry » Iodine » PDB 7ben-7fgj » 7cp6
Atomistry »
  Iodine »
    PDB 7ben-7fgj »
      7cp6 »

Iodine in PDB 7cp6: Crystal Structure of Fqzb

Protein crystallography data

The structure of Crystal Structure of Fqzb, PDB code: 7cp6 was solved by K.Hara, H.Hashimoto, T.Matsushita, S.Kishimoto, K.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.64 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.893, 120.181, 68.048, 90, 94.11, 90
R / Rfree (%) 21.3 / 23.8

Other elements in 7cp6:

The structure of Crystal Structure of Fqzb also contains other interesting chemical elements:

Mercury (Hg) 1 atom

Iodine Binding Sites:

The binding sites of Iodine atom in the Crystal Structure of Fqzb (pdb code 7cp6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 9 binding sites of Iodine where determined in the Crystal Structure of Fqzb, PDB code: 7cp6:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Iodine binding site 1 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 1 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I502

b:41.3
occ:1.00
 N A:GLY331 3.5 24.8 1.0
C10 A:FAD501 3.7 35.2 1.0
N A:GLY329 3.7 36.2 1.0
N10 A:FAD501 3.7 35.2 1.0
CA A:PRO326 3.8 44.6 1.0
N A:GLN330 3.8 29.5 1.0
N1 A:FAD501 3.9 33.6 1.0
CG2 A:VAL328 3.9 41.2 1.0
C1' A:FAD501 4.0 34.2 1.0
CA A:GLY331 4.1 27.1 1.0
CA A:GLY329 4.1 36.1 1.0
C9A A:FAD501 4.2 36.5 1.0
O A:PHE325 4.2 45.2 1.0
C4X A:FAD501 4.2 34.9 1.0
CB A:TYR324 4.3 30.0 1.0
C A:GLY329 4.4 32.1 1.0
C A:PRO326 4.4 47.6 1.0
N A:VAL327 4.4 45.5 1.0
N A:VAL328 4.5 42.9 1.0
CB A:PRO326 4.5 48.9 1.0
C A:GLN330 4.5 29.7 1.0
C2 A:FAD501 4.6 39.0 1.0
N A:PRO326 4.6 43.7 1.0
CD2 A:TYR324 4.6 30.9 1.0
C A:VAL328 4.6 40.0 1.0
C5X A:FAD501 4.6 35.5 1.0
N5 A:FAD501 4.6 34.7 1.0
C A:PHE325 4.7 41.2 1.0
CA A:GLN330 4.7 28.5 1.0
C9 A:FAD501 4.8 36.3 1.0
C4 A:FAD501 4.8 35.3 1.0
CA A:VAL328 4.9 37.6 1.0
N3 A:FAD501 5.0 33.7 1.0

Iodine binding site 2 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 2 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I503

b:182.1
occ:1.00
 CD1 A:TYR366 4.0 32.0 1.0
CE1 A:TYR366 4.1 35.0 1.0
CA A:PRO367 4.1 33.0 1.0
CB A:PRO367 4.2 37.2 1.0
CG A:PRO367 4.2 32.9 1.0
O A:HOH698 4.3 32.0 1.0
N A:PRO367 4.6 31.3 1.0
CD A:PRO367 5.0 29.9 1.0

Iodine binding site 3 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 3 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I504

b:44.0
occ:1.00
 NE2 A:HIS409 3.3 40.3 1.0
CB A:CYS411 3.5 31.2 1.0
NH1 A:ARG365 3.6 28.3 1.0
ND2 A:ASN436 3.6 37.1 1.0
CA A:CYS411 3.8 36.9 1.0
CD2 A:HIS409 4.0 38.5 1.0
CD A:ARG368 4.0 29.3 1.0
CG2 A:ILE364 4.1 27.8 1.0
CD A:ARG365 4.1 28.9 1.0
CG2 A:VAL341 4.2 27.9 1.0
CD2 A:TYR414 4.3 34.4 1.0
CE1 A:HIS409 4.4 43.9 1.0
CB A:ASN436 4.4 34.9 1.0
O A:CYS411 4.4 34.1 1.0
CG A:ASN436 4.5 37.2 1.0
NE A:ARG368 4.5 34.0 1.0
C A:CYS411 4.6 38.2 1.0
OE1 A:GLU337 4.7 32.5 1.0
CZ A:ARG365 4.7 26.4 1.0
O A:ILE364 4.8 31.4 1.0
NE A:ARG365 4.9 30.6 1.0
CE2 A:TYR414 4.9 34.8 1.0
N A:CYS411 4.9 35.6 1.0
CG A:TYR414 5.0 36.7 1.0
OG1 A:THR415 5.0 32.7 1.0

Iodine binding site 4 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 4 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I502

b:66.1
occ:1.00
 O B:HOH648 3.6 39.5 1.0
O B:LYS46 4.0 35.5 1.0
CD B:LYS46 4.1 35.5 1.0
CG B:LYS46 4.1 32.1 1.0
C B:LYS46 4.3 33.3 1.0
CE B:LYS46 4.4 37.6 1.0
CB B:LYS46 4.4 30.5 1.0
CA B:VAL47 4.5 32.7 1.0
N B:VAL47 4.5 30.9 1.0
CG1 B:VAL47 4.6 31.7 1.0
NZ B:LYS46 5.0 43.1 1.0

Iodine binding site 5 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 5 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I503

b:107.4
occ:1.00
 O B:ASP146 3.9 56.9 1.0
CA B:GLY147 3.9 47.8 1.0
C B:ASP146 4.0 52.3 1.0
N B:GLY147 4.0 49.8 1.0
CB B:ASP146 4.2 57.1 1.0
CA B:ASP146 4.7 50.0 1.0

Iodine binding site 6 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 6 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I504

b:68.3
occ:1.00
 NH1 B:ARG158 3.4 48.9 1.0
NH1 B:ARG148 3.5 45.2 1.0
CD B:ARG158 4.0 42.6 1.0
CG B:ARG158 4.1 36.7 1.0
CZ B:ARG148 4.2 57.8 1.0
NH2 B:ARG148 4.2 56.8 1.0
CB B:ALA160 4.4 35.5 1.0
CZ B:ARG158 4.4 47.1 1.0
CB B:ARG158 4.6 31.7 1.0
NE B:ARG158 4.6 42.5 1.0
O B:ARG158 4.7 30.6 1.0
CZ2 B:TRP143 4.7 37.8 1.0
CH2 B:TRP143 4.9 41.6 1.0
C B:ARG158 5.0 34.7 1.0

Iodine binding site 7 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 7 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I505

b:46.2
occ:1.00
 N B:GLY329 3.5 47.2 1.0
O B:HOH675 3.5 44.4 1.0
N10 B:FAD501 3.6 34.4 1.0
C10 B:FAD501 3.7 33.4 1.0
CA B:PRO326 3.8 44.2 1.0
N B:GLY331 3.8 31.3 1.0
N B:GLN330 3.9 36.3 1.0
CG2 B:VAL328 3.9 44.1 1.0
CA B:GLY329 3.9 44.0 1.0
C1' B:FAD501 3.9 36.0 1.0
C9A B:FAD501 4.0 33.2 1.0
N1 B:FAD501 4.0 32.2 1.0
O B:PHE325 4.1 46.9 1.0
C4X B:FAD501 4.1 35.6 1.0
CB B:TYR324 4.3 37.5 1.0
N B:VAL328 4.3 43.3 1.0
C B:PRO326 4.4 49.6 1.0
N B:VAL327 4.4 45.9 1.0
C B:GLY329 4.4 38.3 1.0
CA B:GLY331 4.4 34.8 1.0
C5X B:FAD501 4.4 35.9 1.0
C B:VAL328 4.5 39.6 1.0
N5 B:FAD501 4.5 33.1 1.0
CD2 B:TYR324 4.5 35.4 1.0
CB B:PRO326 4.5 44.3 1.0
C9 B:FAD501 4.6 35.5 1.0
N B:PRO326 4.6 53.1 1.0
C B:PHE325 4.6 48.9 1.0
C2 B:FAD501 4.7 38.3 1.0
CA B:VAL328 4.8 45.7 1.0
C B:GLN330 4.8 31.6 1.0
C4 B:FAD501 4.9 34.1 1.0
CA B:GLN330 4.9 37.3 1.0
CG B:TYR324 4.9 28.0 1.0
CB B:VAL328 5.0 47.8 1.0
O B:HOH610 5.0 38.4 1.0

Iodine binding site 8 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 8 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I506

b:53.6
occ:1.00
 N B:ARG262 3.9 42.9 1.0
C B:ARG262 4.1 34.4 1.0
CB B:ALA263 4.2 35.5 1.0
C B:GLY261 4.2 37.3 1.0
N B:ALA263 4.3 34.2 1.0
CA B:ARG262 4.3 35.0 1.0
O B:ARG262 4.4 36.5 1.0
CA B:GLY261 4.5 36.9 1.0
CA B:VAL294 4.6 36.9 1.0
N B:ASP295 4.6 41.0 1.0
O B:GLY261 4.7 38.0 1.0
O B:LEU293 4.8 37.8 1.0
CB B:VAL294 4.8 42.6 1.0
CG1 B:VAL294 4.9 41.6 1.0
CA B:ALA263 4.9 32.8 1.0

Iodine binding site 9 out of 9 in 7cp6

Go back to Iodine Binding Sites List in 7cp6
Iodine binding site 9 out of 9 in the Crystal Structure of Fqzb


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of Fqzb within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I507

b:53.8
occ:1.00
 NE2 B:HIS409 3.4 61.0 1.0
CB B:CYS411 3.5 51.4 1.0
ND2 B:ASN436 3.7 58.0 1.0
NH1 B:ARG365 3.7 42.3 1.0
CA B:CYS411 4.0 57.1 1.0
CD2 B:HIS409 4.1 62.6 1.0
CD B:ARG368 4.1 40.9 1.0
CD B:ARG365 4.1 40.3 1.0
CG2 B:ILE364 4.1 56.6 1.0
CG2 B:VAL341 4.2 41.6 1.0
CD2 B:TYR414 4.3 61.1 1.0
CE1 B:HIS409 4.5 65.1 1.0
O B:CYS411 4.5 54.4 1.0
NE B:ARG368 4.6 52.6 1.0
CB B:ASN436 4.6 61.0 1.0
CG B:ASN436 4.6 61.8 1.0
O B:ILE364 4.7 51.9 1.0
C B:CYS411 4.8 53.2 1.0
CZ B:ARG365 4.8 33.7 1.0
OE1 B:GLU337 4.8 47.0 1.0
CE2 B:TYR414 4.8 61.2 1.0
NE B:ARG365 4.9 35.5 1.0
OG1 B:THR415 5.0 54.0 1.0

Reference:

T.Matsushita, S.Kishimoto, K.Hara, H.Hashimoto, K.Watanabe. Structural and Functional Analyses of A Spiro-Carbon-Forming, Highly Promiscuous Epoxidase From Fungal Natural Product Biosynthesis. Biochemistry V. 59 4787 2020.
ISSN: ISSN 0006-2960
PubMed: 33332106
DOI: 10.1021/ACS.BIOCHEM.0C00896
Page generated: Mon Aug 12 00:55:06 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