Chlorine in PDB 8u06: Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)

Protein crystallography data

The structure of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site), PDB code: 8u06 was solved by P.Daniel-Ivad, K.S.Ryan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.75 / 1.60
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 54.114, 110.767, 66.987, 90, 107.6, 90
R / Rfree (%) 15.5 / 18.9

Other elements in 8u06:

The structure of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) also contains other interesting chemical elements:

Iodine (I) 13 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) (pdb code 8u06). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site), PDB code: 8u06:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 1 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:61.6
occ:1.00
 O A:HOH608 3.3 41.8 1.0
NH1 B:ARG100 3.6 26.9 1.0
C A:GLY193 3.7 28.0 1.0
N A:PRO194 3.8 27.5 1.0
CA A:GLY193 3.8 29.4 1.0
CD A:PRO194 4.1 35.1 1.0
O A:GLY193 4.1 30.4 1.0
N A:GLY193 4.2 34.3 1.0
CA A:PRO194 4.4 25.4 1.0
O B:HOH632 4.4 51.1 1.0
CG A:PRO194 4.5 42.2 1.0
CZ B:ARG100 4.7 25.3 1.0

Chlorine binding site 2 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 2 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:46.7
occ:1.00
 O A:HOH760 3.0 44.7 1.0
C A:VAL49 3.7 21.8 1.0
N A:ALA50 3.7 23.9 1.0
CA A:ALA50 3.8 23.5 1.0
O A:VAL49 4.0 27.3 1.0
CB A:ALA50 4.0 24.5 1.0
O A:GLU48 4.0 26.3 1.0
O A:HOH569 4.1 29.0 1.0
CA A:VAL49 4.2 21.4 1.0
CG A:GLU48 4.2 28.1 1.0
C A:GLU48 4.3 23.7 1.0
CD A:GLU48 4.3 44.9 1.0
N A:VAL49 4.3 21.7 1.0
OE2 A:GLU48 4.4 30.8 1.0
O A:HOH570 4.6 31.7 1.0
CB A:GLU48 4.6 25.9 1.0
O A:HOH488 4.8 24.0 1.0
OE1 A:GLU48 4.8 32.1 1.0
O A:HOH481 5.0 38.3 1.0

Chlorine binding site 3 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 3 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:45.6
occ:1.00
 O A:HOH461 3.8 45.1 1.0
CD A:ARG209 3.8 31.8 1.0
CB A:ASN208 3.9 25.5 1.0
O A:ASN208 4.0 22.6 1.0
C A:ASN208 4.0 22.5 1.0
N A:ARG209 4.1 22.5 1.0
CG A:ARG209 4.1 25.1 1.0
CA A:ARG209 4.2 17.5 1.0
O A:HOH422 4.5 36.6 1.0
CA A:ASN208 4.6 21.2 1.0
CB A:ARG209 4.8 20.7 1.0
O A:HOH604 4.9 41.9 1.0

Chlorine binding site 4 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 4 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:43.1
occ:1.00
 O A:HOH711 3.2 39.9 1.0
N A:GLU70 3.4 22.4 1.0
N A:TYR69 3.8 20.4 1.0
NE2 A:HIS98 3.8 34.6 1.0
CB A:THR68 3.8 25.6 1.0
CB A:GLU70 3.9 28.3 1.0
CE1 A:HIS98 3.9 63.6 1.0
OG1 A:THR68 4.2 25.1 1.0
CB A:TYR69 4.3 18.6 1.0
CA A:GLU70 4.3 26.9 1.0
C A:TYR69 4.3 19.5 1.0
CA A:TYR69 4.3 19.8 1.0
CD2 A:HIS98 4.5 32.0 1.0
C A:THR68 4.5 20.3 1.0
CG2 A:THR68 4.6 26.8 1.0
CA A:THR68 4.6 18.4 1.0
ND1 A:HIS98 4.6 37.8 1.0
OE1 A:GLU70 4.7 71.6 1.0

Chlorine binding site 5 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 5 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:53.2
occ:1.00
 O B:HOH519 3.4 58.9 1.0
NH1 A:ARG100 3.6 28.5 1.0
C B:GLY193 3.7 23.9 1.0
N B:PRO194 3.8 24.9 1.0
O B:GLY193 3.9 27.4 1.0
CA B:GLY193 4.0 31.0 1.0
O B:HOH569 4.2 43.2 1.0
CA B:PRO194 4.2 23.4 1.0
N B:GLY193 4.2 23.4 1.0
CD B:PRO194 4.3 32.2 1.0
CZ A:ARG100 4.5 30.2 1.0
CG B:PRO194 4.6 43.8 1.0
NH2 A:ARG100 4.6 30.4 1.0
O A:HOH630 4.8 56.6 1.0
O A:HOH639 4.9 47.0 1.0
CB B:PRO194 5.0 25.2 1.0

Chlorine binding site 6 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 6 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl310

b:25.2
occ:1.00
 O B:HOH424 2.3 27.9 1.0
O B:HOH549 2.9 21.7 1.0
N B:ALA161 3.8 18.1 1.0
CB B:ALA161 4.0 16.7 1.0
OD1 B:ASP160 4.0 25.1 1.0
CB B:ALA103 4.1 16.3 1.0
ND2 B:ASN104 4.2 17.0 1.0
NE B:ARG100 4.3 24.6 1.0
CG B:ARG100 4.4 22.6 1.0
CA B:ALA161 4.5 14.4 1.0
CA B:ASP160 4.6 18.7 1.0
C B:ASP160 4.7 19.4 1.0
CA B:ARG100 4.7 17.3 1.0
O B:ARG100 4.8 20.4 1.0
CB B:ARG100 4.8 18.7 1.0
CD B:ARG100 4.9 25.6 1.0
O B:THR159 4.9 17.7 1.0

Chlorine binding site 7 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 7 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl311

b:34.4
occ:1.00
 O B:HOH420 3.6 44.1 1.0
CB B:ASN208 3.7 23.9 1.0
O B:ASN208 3.8 19.2 1.0
C B:ASN208 3.9 17.9 1.0
CD B:ARG209 4.0 37.0 1.0
N B:ARG209 4.0 18.8 1.0
CG B:ARG209 4.2 27.1 1.0
CA B:ARG209 4.2 17.4 1.0
O B:HOH495 4.2 51.4 1.0
O A:HOH663 4.3 53.6 1.0
CA B:ASN208 4.5 19.3 1.0
CG B:ASN208 4.8 32.8 1.0
CB B:ARG209 4.8 19.9 1.0
O B:HOH578 5.0 34.9 1.0

Chlorine binding site 8 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 8 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl312

b:46.6
occ:1.00
 C B:VAL49 3.8 26.7 1.0
N B:ALA50 3.8 27.6 1.0
O B:GLU48 3.9 31.5 1.0
CA B:ALA50 4.0 28.8 1.0
CG B:GLU48 4.0 32.5 1.0
O B:VAL49 4.0 28.1 1.0
CA B:VAL49 4.1 22.4 1.0
CB B:ALA50 4.1 27.0 1.0
C B:GLU48 4.2 25.0 1.0
O B:HOH475 4.2 37.2 1.0
N B:VAL49 4.3 24.3 1.0
CD B:GLU48 4.3 49.6 1.0
CB B:GLU48 4.5 29.9 1.0
OE2 B:GLU48 4.6 35.4 1.0
O B:HOH447 4.7 35.6 1.0
OE1 B:GLU48 4.8 41.3 1.0
O B:HOH421 4.8 27.6 1.0

Chlorine binding site 9 out of 9 in 8u06

Go back to Chlorine Binding Sites List in 8u06
Chlorine binding site 9 out of 9 in the Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Imine Reductase Rede Bound with Nadp+ and Arcyriaflavin A (Primary Site) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl313

b:36.2
occ:1.00
 N B:GLU70 3.5 23.5 1.0
O B:HOH581 3.6 27.2 1.0
CB B:GLU70 3.8 28.3 1.0
CE1 B:HIS98 3.9 36.3 1.0
CB B:THR68 3.9 20.0 1.0
N B:TYR69 4.0 21.7 1.0
O B:HOH428 4.1 26.8 1.0
ND1 B:HIS98 4.1 23.6 1.0
CA B:GLU70 4.3 25.4 1.0
OG1 B:THR68 4.4 25.9 1.0
C B:TYR69 4.4 22.2 1.0
O B:HOH722 4.5 34.7 1.0
CA B:TYR69 4.6 18.2 1.0
CB B:TYR69 4.6 22.2 1.0
CG2 B:THR68 4.6 24.4 1.0
C B:THR68 4.8 23.3 1.0
CA B:THR68 4.8 20.4 1.0
NE2 B:HIS98 5.0 41.2 1.0

Reference:

P.Daniel-Ivad, K.S.Ryan. An Imine Reductase That Captures Reactive Intermediates in the Biosynthesis of the Indolocarbazole Reductasporine To Be Published.
Page generated: Sat Sep 28 19:31:20 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy