Atomistry » Chlorine » PDB 6f4l-6fbv » 6f91
Atomistry »
  Chlorine »
    PDB 6f4l-6fbv »
      6f91 »

Chlorine in PDB 6f91: Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron

Protein crystallography data

The structure of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron, PDB code: 6f91 was solved by A.J.Thompson, R.J.Spears, Y.Zhu, M.D.L.Suits, S.J.Williams, H.J.Gilbert, G.J.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.08 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 111.919, 184.542, 183.661, 90.00, 90.80, 90.00
R / Rfree (%) 16 / 18.5

Other elements in 6f91:

The structure of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron also contains other interesting chemical elements:

Calcium (Ca) 8 atoms
Sodium (Na) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron (pdb code 6f91). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron, PDB code: 6f91:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 1 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:34.4
occ:1.00
 O A:HOH1086 3.0 34.2 1.0
O A:HOH1021 3.1 26.7 1.0
N A:ASN656 3.2 30.6 1.0
NZ A:LYS408 3.3 37.4 1.0
N A:SER654 3.4 22.9 1.0
CA A:PRO653 3.7 23.9 1.0
CA A:ASN656 3.7 33.2 1.0
N A:SER655 3.8 31.0 1.0
OD1 A:ASP404 3.9 31.4 1.0
N A:ILE657 3.9 32.1 1.0
OG A:SER655 4.0 32.3 1.0
O A:ALA652 4.0 31.4 1.0
C A:PRO653 4.0 25.8 1.0
O A:ILE657 4.1 29.6 1.0
CB A:PRO650 4.2 31.3 1.0
CA A:SER654 4.2 27.0 1.0
C A:SER655 4.2 36.1 1.0
C A:SER654 4.3 28.7 1.0
C A:ASN656 4.3 32.1 1.0
CA A:SER655 4.5 32.2 1.0
N A:PRO653 4.5 27.1 1.0
C A:ALA652 4.5 27.3 1.0
OD1 A:ASN656 4.5 35.4 1.0
CE A:LYS408 4.5 34.9 1.0
CB A:PRO653 4.7 25.5 1.0
CG A:ASP404 4.7 32.8 1.0
OD2 A:ASP404 4.8 30.1 1.0
CB A:SER655 4.8 30.4 1.0
C A:ILE657 4.8 35.1 1.0
CZ A:TYR658 4.9 34.4 1.0
CE1 A:TYR658 4.9 35.0 1.0
OH A:TYR658 4.9 35.3 1.0

Chlorine binding site 2 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 2 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:22.8
occ:1.00
 NZ B:LYS408 3.2 21.8 1.0
O B:HOH1283 3.2 22.4 1.0
O B:HOH1065 3.2 19.5 1.0
N B:ASN656 3.2 19.7 1.0
N B:SER654 3.3 18.6 1.0
CA B:PRO653 3.7 19.6 1.0
CA B:ASN656 3.7 20.7 1.0
N B:SER655 3.8 20.5 1.0
OD1 B:ASP404 3.8 22.0 1.0
C B:PRO653 4.0 19.4 1.0
N B:ILE657 4.0 21.0 1.0
O B:ALA652 4.0 20.4 1.0
OG B:SER655 4.0 19.0 1.0
CA B:SER654 4.2 20.6 1.0
O B:ILE657 4.2 21.8 1.0
C B:SER654 4.2 21.0 1.0
CB B:PRO650 4.3 24.2 1.0
C B:SER655 4.3 20.9 1.0
C B:ASN656 4.3 22.7 1.0
CE B:LYS408 4.4 22.4 1.0
CA B:SER655 4.5 19.4 1.0
N B:PRO653 4.5 19.3 1.0
OD1 B:ASN656 4.5 22.9 1.0
C B:ALA652 4.6 20.7 1.0
CG B:ASP404 4.6 21.1 1.0
CB B:PRO653 4.6 19.1 1.0
OD2 B:ASP404 4.6 21.4 1.0
CZ B:TYR658 4.8 29.7 1.0
CB B:SER655 4.9 19.6 1.0
OH B:TYR658 4.9 31.3 1.0
C B:ILE657 4.9 21.8 1.0
CE1 B:TYR658 4.9 25.9 1.0
CB B:ASN656 5.0 22.5 1.0

Chlorine binding site 3 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 3 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:21.8
occ:1.00
 O C:HOH1021 3.1 18.8 1.0
O C:HOH956 3.1 19.5 1.0
NZ C:LYS408 3.2 22.7 1.0
N C:ASN656 3.2 20.5 1.0
N C:SER654 3.3 18.6 1.0
CA C:ASN656 3.7 20.3 1.0
CA C:PRO653 3.7 17.9 1.0
N C:SER655 3.7 19.6 1.0
OD1 C:ASP404 3.8 22.1 1.0
N C:ILE657 4.0 21.1 1.0
O C:ALA652 4.0 17.9 1.0
OG C:SER655 4.0 20.0 1.0
C C:PRO653 4.0 17.8 1.0
CA C:SER654 4.1 18.4 1.0
C C:SER654 4.2 20.7 1.0
O C:ILE657 4.2 23.1 1.0
C C:SER655 4.2 21.7 1.0
CB C:PRO650 4.2 19.8 1.0
C C:ASN656 4.3 21.8 1.0
CA C:SER655 4.4 20.3 1.0
CE C:LYS408 4.4 22.4 1.0
OD1 C:ASN656 4.5 24.1 1.0
N C:PRO653 4.5 18.5 1.0
C C:ALA652 4.6 19.7 1.0
CG C:ASP404 4.6 22.7 1.0
CB C:PRO653 4.7 18.1 1.0
OD2 C:ASP404 4.7 23.5 1.0
CZ C:TYR658 4.8 28.4 1.0
CB C:SER655 4.8 18.6 1.0
C C:ILE657 4.9 22.5 1.0
OH C:TYR658 4.9 30.3 1.0
CE1 C:TYR658 4.9 23.4 1.0
CB C:ASN656 5.0 20.3 1.0

Chlorine binding site 4 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 4 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:20.6
occ:1.00
 O D:HOH1004 3.1 23.9 1.0
O D:HOH1079 3.2 19.6 1.0
NZ D:LYS408 3.2 19.9 1.0
N D:ASN656 3.3 21.3 1.0
N D:SER654 3.3 17.8 1.0
CA D:PRO653 3.6 17.0 1.0
CA D:ASN656 3.7 21.9 1.0
N D:SER655 3.8 17.9 1.0
OD1 D:ASP404 3.8 19.8 1.0
C D:PRO653 4.0 18.6 1.0
N D:ILE657 4.0 20.5 1.0
O D:ALA652 4.0 19.1 1.0
OG D:SER655 4.0 16.4 1.0
CA D:SER654 4.1 16.7 1.0
CB D:PRO650 4.2 18.3 1.0
O D:ILE657 4.2 21.3 1.0
C D:SER654 4.2 17.3 1.0
C D:SER655 4.3 20.2 1.0
C D:ASN656 4.4 21.0 1.0
N D:PRO653 4.5 17.5 1.0
CA D:SER655 4.5 17.9 1.0
CE D:LYS408 4.5 20.0 1.0
OD1 D:ASN656 4.5 22.7 1.0
C D:ALA652 4.5 17.8 1.0
CG D:ASP404 4.6 18.6 1.0
CB D:PRO653 4.6 17.3 1.0
OD2 D:ASP404 4.7 20.4 1.0
CB D:SER655 4.8 18.3 1.0
CZ D:TYR658 4.8 25.8 1.0
C D:ILE657 4.9 19.9 1.0
OH D:TYR658 4.9 25.2 1.0
CE1 D:TYR658 4.9 22.1 1.0

Chlorine binding site 5 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 5 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl803

b:19.5
occ:1.00
 O E:HOH1077 3.1 18.9 1.0
O E:HOH1152 3.1 17.5 1.0
NZ E:LYS408 3.2 19.1 1.0
N E:ASN656 3.2 17.9 1.0
N E:SER654 3.3 16.6 1.0
CA E:ASN656 3.7 21.2 1.0
CA E:PRO653 3.7 16.1 1.0
N E:SER655 3.7 15.5 1.0
OD1 E:ASP404 3.8 18.5 1.0
N E:ILE657 4.0 20.7 1.0
OG E:SER655 4.0 16.6 1.0
C E:PRO653 4.0 17.4 1.0
O E:ALA652 4.0 16.7 1.0
CA E:SER654 4.1 16.2 1.0
C E:SER654 4.2 17.5 1.0
O E:ILE657 4.2 21.3 1.0
C E:SER655 4.2 18.0 1.0
CB E:PRO650 4.3 17.7 1.0
C E:ASN656 4.3 21.0 1.0
OD1 E:ASN656 4.4 20.2 1.0
CA E:SER655 4.4 16.9 1.0
CE E:LYS408 4.4 18.1 1.0
N E:PRO653 4.5 17.8 1.0
C E:ALA652 4.6 18.0 1.0
CG E:ASP404 4.6 19.1 1.0
CB E:PRO653 4.7 16.5 1.0
OD2 E:ASP404 4.7 20.0 1.0
CB E:SER655 4.8 16.5 1.0
CZ E:TYR658 4.8 26.2 1.0
C E:ILE657 4.9 22.1 1.0
OH E:TYR658 4.9 23.4 1.0
CE1 E:TYR658 4.9 22.0 1.0
CB E:ASN656 5.0 20.6 1.0

Chlorine binding site 6 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 6 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl803

b:36.9
occ:1.00
 O F:HOH1111 2.9 41.4 1.0
O F:HOH1143 3.1 32.1 1.0
N F:ASN656 3.2 38.1 1.0
NZ F:LYS408 3.3 39.7 1.0
N F:SER654 3.4 26.0 1.0
CA F:PRO653 3.7 29.1 1.0
CA F:ASN656 3.7 35.0 1.0
N F:SER655 3.8 30.2 1.0
OD1 F:ASP404 3.8 34.7 1.0
N F:ILE657 4.0 35.9 1.0
O F:ALA652 4.0 27.8 1.0
OG F:SER655 4.0 35.8 1.0
C F:PRO653 4.0 25.9 1.0
O F:ILE657 4.2 40.6 1.0
CB F:PRO650 4.2 38.6 1.0
CA F:SER654 4.2 27.1 1.0
C F:SER654 4.3 28.4 1.0
C F:SER655 4.3 40.7 1.0
C F:ASN656 4.3 38.6 1.0
N F:PRO653 4.5 29.1 1.0
CA F:SER655 4.5 37.5 1.0
CE F:LYS408 4.5 33.0 1.0
C F:ALA652 4.5 32.9 1.0
OD1 F:ASN656 4.5 42.7 1.0
CG F:ASP404 4.6 42.0 1.0
CB F:PRO653 4.7 31.6 1.0
OD2 F:ASP404 4.7 37.5 1.0
C F:ILE657 4.8 42.7 1.0
CB F:SER655 4.8 34.0 1.0
CZ F:TYR658 4.8 46.1 1.0
CE1 F:TYR658 4.9 40.5 1.0
OH F:TYR658 4.9 44.1 1.0

Chlorine binding site 7 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 7 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
G:Cl803

b:21.6
occ:1.00
 O G:HOH1083 3.1 19.1 1.0
O G:HOH973 3.2 21.4 1.0
N G:ASN656 3.2 18.7 1.0
NZ G:LYS408 3.2 22.8 1.0
N G:SER654 3.3 19.4 1.0
CA G:PRO653 3.7 18.9 1.0
CA G:ASN656 3.7 22.1 1.0
N G:SER655 3.8 18.1 1.0
OD1 G:ASP404 3.8 20.3 1.0
OG G:SER655 4.0 19.3 1.0
N G:ILE657 4.0 21.1 1.0
O G:ALA652 4.0 18.6 1.0
C G:PRO653 4.0 18.8 1.0
CA G:SER654 4.2 19.5 1.0
O G:ILE657 4.2 19.1 1.0
CB G:PRO650 4.2 17.3 1.0
C G:SER654 4.2 21.1 1.0
C G:SER655 4.3 18.3 1.0
C G:ASN656 4.3 22.1 1.0
CA G:SER655 4.5 18.2 1.0
N G:PRO653 4.5 17.9 1.0
CE G:LYS408 4.5 22.1 1.0
OD1 G:ASN656 4.5 20.1 1.0
C G:ALA652 4.5 20.4 1.0
CG G:ASP404 4.6 20.1 1.0
CB G:PRO653 4.7 17.8 1.0
OD2 G:ASP404 4.7 21.9 1.0
CB G:SER655 4.8 18.9 1.0
C G:ILE657 4.8 21.1 1.0
CZ G:TYR658 4.9 25.1 1.0
CE1 G:TYR658 4.9 20.9 1.0
OH G:TYR658 4.9 28.0 1.0

Chlorine binding site 8 out of 8 in 6f91

Go back to Chlorine Binding Sites List in 6f91
Chlorine binding site 8 out of 8 in the Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Structure of the Family GH92 Alpha-Mannosidase BT3965 From Bacteroides Thetaiotaomicron within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Cl803

b:21.6
occ:1.00
 O H:HOH3340 3.1 18.5 1.0
O H:HOH3141 3.2 18.9 1.0
N H:ASN656 3.3 18.6 1.0
NZ H:LYS408 3.3 21.2 1.0
N H:SER654 3.3 19.1 1.0
CA H:PRO653 3.6 18.8 1.0
CA H:ASN656 3.7 20.7 1.0
N H:SER655 3.8 20.8 1.0
OD1 H:ASP404 3.8 22.2 1.0
N H:ILE657 4.0 20.7 1.0
O H:ALA652 4.0 19.2 1.0
C H:PRO653 4.0 18.6 1.0
OG H:SER655 4.0 20.3 1.0
O H:ILE657 4.2 22.8 1.0
CA H:SER654 4.2 21.4 1.0
CB H:PRO650 4.2 19.1 1.0
C H:SER654 4.2 20.4 1.0
C H:SER655 4.3 21.6 1.0
C H:ASN656 4.3 22.1 1.0
N H:PRO653 4.5 18.7 1.0
CA H:SER655 4.5 20.1 1.0
CE H:LYS408 4.5 19.8 1.0
C H:ALA652 4.5 19.3 1.0
OD1 H:ASN656 4.5 23.2 1.0
CG H:ASP404 4.6 21.0 1.0
CB H:PRO653 4.6 21.2 1.0
OD2 H:ASP404 4.7 21.6 1.0
C H:ILE657 4.8 21.3 1.0
CB H:SER655 4.8 19.9 1.0
CE1 H:TYR658 4.9 25.6 1.0
CZ H:TYR658 4.9 28.0 1.0
OH H:TYR658 5.0 29.5 1.0

Reference:

A.J.Thompson, R.J.Spears, Y.Zhu, M.D.L.Suits, S.J.Williams, H.J.Gilbert, G.J.Davies. Bacteroides Thetaiotaomicron Generates Diverse Alpha-Mannosidase Activities Through Subtle Evolution of A Distal Substrate-Binding Motif. Acta Crystallogr D Struct V. 74 394 2018BIOL.
ISSN: ISSN 2059-7983
PubMed: 29717710
DOI: 10.1107/S2059798318002942
Page generated: Sat Jul 12 13:54:34 2025

Last articles

Mg in 6VZS
Mg in 6VZT
Mg in 6VZR
Mg in 6VZQ
Mg in 6VZ8
Mg in 6VZ9
Mg in 6VYD
Mg in 6VZ4
Mg in 6VWP
Mg in 6VWW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy