Atomistry » Chlorine » PDB 4mlb-4ms4 » 4mmw
Atomistry »
  Chlorine »
    PDB 4mlb-4ms4 »
      4mmw »

Chlorine in PDB 4mmw: Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate

Protein crystallography data

The structure of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate, PDB code: 4mmw was solved by A.A.Fedorov, E.V.Fedorov, A.Sakai, J.A.Gerlt, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.10 / 1.65
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 118.099, 118.099, 133.278, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 19.4

Other elements in 4mmw:

The structure of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate also contains other interesting chemical elements:

Magnesium (Mg) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate (pdb code 4mmw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 10 binding sites of Chlorine where determined in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate, PDB code: 4mmw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 1 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl406

b:22.6
occ:1.00
 O A:HOH838 3.2 30.8 1.0
NH2 A:ARG163 3.3 22.0 1.0
N A:MET353 3.3 18.6 1.0
NH2 A:ARG330 3.4 17.7 1.0
CD1 A:LEU349 3.5 29.7 1.0
OD1 A:ASP340 3.6 40.8 1.0
CA A:PRO352 3.7 17.6 1.0
CG A:ASP340 3.7 38.0 1.0
O A:MET353 3.8 21.2 1.0
C A:PRO352 4.0 18.4 1.0
OD2 A:ASP340 4.1 32.9 1.0
CB A:PRO352 4.2 18.1 1.0
CB A:ASP340 4.2 30.5 1.0
CA A:MET353 4.3 16.3 1.0
CZ A:ARG330 4.4 16.6 1.0
C A:MET353 4.5 18.8 1.0
CZ A:ARG163 4.6 24.2 1.0
CB A:MET353 4.7 17.3 1.0
NH1 A:ARG330 4.7 19.3 1.0
O A:HOH822 4.9 29.4 1.0
CA A:ASP340 4.9 23.8 1.0
O A:ASP351 4.9 19.8 1.0
N A:PRO352 4.9 18.0 1.0
CG A:LEU349 5.0 25.0 1.0

Chlorine binding site 2 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 2 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl407

b:28.4
occ:1.00
 O A:HOH545 3.1 19.1 1.0
O A:HOH627 3.2 27.0 1.0
O A:HOH571 3.2 27.5 1.0
O A:HOH867 3.3 38.3 1.0
N A:LEU132 3.5 16.1 1.0
CA A:VAL131 3.7 14.5 1.0
NH1 A:ARG128 3.7 17.4 1.0
CG2 A:VAL131 3.7 20.1 1.0
C A:VAL131 4.1 16.9 1.0
CB A:VAL131 4.2 19.5 1.0
CG A:LEU132 4.2 23.8 1.0
CE2 A:PHE358 4.2 23.2 1.0
O A:LYS130 4.3 17.6 1.0
CD A:ARG128 4.3 17.5 1.0
CB A:LEU132 4.4 16.8 1.0
O A:HOH730 4.5 24.1 1.0
CA A:LEU132 4.6 15.1 1.0
O A:ARG326 4.6 15.6 1.0
CD1 A:LEU132 4.7 25.8 1.0
CZ A:ARG128 4.7 17.2 1.0
N A:VAL131 4.7 16.3 1.0
CD2 A:PHE358 4.8 21.7 1.0
O A:HOH748 4.8 23.8 1.0
C A:LYS130 4.9 16.1 1.0
NE A:ARG128 5.0 14.9 1.0

Chlorine binding site 3 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 3 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl408

b:31.1
occ:1.00
 NZ A:LYS347 3.2 35.5 1.0
N A:PHE373 3.2 23.5 1.0
CE A:LYS347 3.5 35.0 1.0
N A:THR374 3.6 22.9 1.0
OG1 A:THR374 3.6 33.7 1.0
CB A:PHE373 3.8 23.6 1.0
CA A:PHE373 3.9 23.9 1.0
O A:ILE371 4.0 20.8 1.0
C A:ASP372 4.0 26.7 1.0
OD1 A:ASP372 4.1 28.9 1.0
CD1 A:PHE373 4.1 27.6 1.0
CA A:ASP372 4.2 20.2 1.0
C A:PHE373 4.2 24.9 1.0
CB A:THR374 4.3 28.1 1.0
CG A:PHE373 4.4 27.4 1.0
O A:HOH790 4.5 45.1 1.0
CA A:THR374 4.5 25.4 1.0
CG A:ASP372 4.9 28.2 1.0
C A:ILE371 5.0 21.7 1.0

Chlorine binding site 4 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 4 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl409

b:31.0
occ:1.00
 N A:MET1 3.3 20.6 1.0
CA A:MET1 3.4 22.5 1.0
CG A:ASP74 3.4 22.6 1.0
C A:MET1 3.4 22.6 1.0
OD2 A:ASP74 3.7 21.2 1.0
CB A:ASP74 3.7 22.5 1.0
OD1 A:ASP74 3.7 17.7 1.0
N A:ILE2 3.7 22.4 1.0
CD1 A:ILE2 3.8 32.4 1.0
O A:MET1 3.9 21.1 1.0
CA A:ASP74 3.9 18.3 1.0
O A:HOH650 4.0 30.0 1.0
CG1 A:ILE2 4.2 20.4 1.0
NH1 A:ARG76 4.4 18.7 1.0
CA A:ILE2 4.5 22.2 1.0
OE2 A:GLU43 4.8 34.9 1.0
N A:ASP74 4.8 18.2 1.0
CB A:MET1 4.9 28.4 1.0

Chlorine binding site 5 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 5 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl410

b:41.1
occ:1.00
 N A:MET1 3.2 20.6 1.0
CG A:MET1 3.4 37.3 1.0
NE A:ARG76 3.5 20.7 1.0
CZ A:ARG76 3.5 24.5 1.0
O A:HOH808 3.5 36.1 1.0
NH2 A:ARG76 3.6 22.1 1.0
CD A:ARG76 3.6 17.7 1.0
CE1 A:HIS75 3.9 22.0 1.0
CA A:MET1 4.0 22.5 1.0
NH1 A:ARG76 4.2 18.7 1.0
CB A:MET1 4.2 28.4 1.0
CG A:ARG76 4.5 17.9 1.0
ND1 A:HIS75 4.5 19.8 1.0
SD A:MET1 4.7 62.7 1.0
NE2 A:HIS75 4.9 18.2 1.0
OD1 A:ASP74 4.9 17.7 1.0

Chlorine binding site 6 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 6 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl406

b:21.7
occ:1.00
 N B:MET353 3.3 17.9 1.0
NH2 B:ARG163 3.3 20.1 1.0
O B:HOH838 3.3 37.5 1.0
NH2 B:ARG330 3.4 18.8 1.0
CD1 B:LEU349 3.5 32.3 1.0
CA B:PRO352 3.7 19.0 1.0
CG B:ASP340 3.8 37.1 1.0
O B:MET353 3.8 21.3 1.0
OD1 B:ASP340 3.9 35.9 1.0
C B:PRO352 4.0 18.7 1.0
OD2 B:ASP340 4.0 34.1 1.0
CB B:ASP340 4.1 29.9 1.0
CB B:PRO352 4.2 18.1 1.0
CA B:MET353 4.3 19.1 1.0
CZ B:ARG330 4.4 17.4 1.0
C B:MET353 4.5 19.2 1.0
CZ B:ARG163 4.6 22.0 1.0
CB B:MET353 4.7 16.2 1.0
NH1 B:ARG330 4.7 18.4 1.0
CA B:ASP340 4.9 24.7 1.0
O B:ASP351 5.0 19.5 1.0
N B:PRO352 5.0 19.6 1.0
CG B:LEU349 5.0 27.1 1.0
O B:HOH816 5.0 31.3 1.0

Chlorine binding site 7 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 7 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl407

b:24.5
occ:1.00
 O A:HOH676 2.8 36.8 1.0
O B:HOH841 3.0 29.9 1.0
N B:HIS60 3.3 18.4 1.0
CD B:PRO59 3.6 17.5 1.0
CB B:HIS60 3.8 23.1 1.0
N B:PRO59 3.8 17.0 1.0
CG B:ARG58 3.8 16.4 1.0
CB B:PRO59 3.9 21.3 1.0
CD B:ARG58 4.0 18.6 1.0
CB B:ARG58 4.0 17.4 1.0
CA B:HIS60 4.1 22.3 1.0
CG B:PRO59 4.1 23.4 1.0
C B:PRO59 4.2 21.7 1.0
CA B:PRO59 4.2 17.3 1.0
NE B:ARG58 4.3 16.6 1.0
C B:ARG58 4.4 17.1 1.0
CA B:ARG58 4.8 16.1 1.0
OE1 A:GLU55 4.8 29.4 1.0
O B:HOH658 4.8 38.4 1.0
O B:HOH845 4.9 39.8 1.0
OE2 A:GLU55 4.9 22.2 1.0

Chlorine binding site 8 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 8 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:29.3
occ:1.00
 O B:HOH544 3.1 20.6 1.0
O B:HOH628 3.2 26.1 1.0
O B:HOH586 3.2 26.9 1.0
N B:LEU132 3.5 15.1 1.0
NH1 B:ARG128 3.7 17.5 1.0
CA B:VAL131 3.7 14.0 1.0
CG2 B:VAL131 3.7 18.0 1.0
C B:VAL131 4.1 18.5 1.0
CB B:VAL131 4.2 21.7 1.0
CE2 B:PHE358 4.2 21.3 1.0
CG B:LEU132 4.2 22.4 1.0
O B:LYS130 4.3 18.4 1.0
CD B:ARG128 4.3 15.7 1.0
CB B:LEU132 4.4 17.6 1.0
O B:HOH725 4.5 21.7 1.0
CA B:LEU132 4.5 16.4 1.0
O B:ARG326 4.6 16.3 1.0
CZ B:ARG128 4.7 15.6 1.0
CD1 B:LEU132 4.7 23.8 1.0
N B:VAL131 4.7 16.4 1.0
CD2 B:PHE358 4.7 20.1 1.0
O B:HOH736 4.9 25.6 1.0
C B:LYS130 4.9 16.9 1.0
NE B:ARG128 4.9 15.6 1.0

Chlorine binding site 9 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 9 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl409

b:30.5
occ:1.00
 N B:MET1 3.3 20.1 1.0
CA B:MET1 3.4 21.8 1.0
CG B:ASP74 3.4 22.9 1.0
C B:MET1 3.5 23.0 1.0
OD2 B:ASP74 3.6 22.1 1.0
CB B:ASP74 3.7 23.8 1.0
OD1 B:ASP74 3.7 18.1 1.0
CD1 B:ILE2 3.8 29.1 1.0
N B:ILE2 3.8 21.8 1.0
O B:HOH652 3.9 29.6 1.0
O B:MET1 3.9 21.8 1.0
CA B:ASP74 3.9 19.2 1.0
CG1 B:ILE2 4.1 21.5 1.0
NH1 B:ARG76 4.3 18.0 1.0
CA B:ILE2 4.5 20.7 1.0
N B:ASP74 4.8 19.8 1.0
OE2 B:GLU43 4.8 31.8 1.0
CB B:MET1 4.9 25.8 1.0

Chlorine binding site 10 out of 10 in 4mmw

Go back to Chlorine Binding Sites List in 4mmw
Chlorine binding site 10 out of 10 in the Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L- Lyxarohydroxamate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl410

b:42.3
occ:1.00
 N B:MET1 3.2 20.1 1.0
CG B:MET1 3.4 37.6 1.0
NE B:ARG76 3.5 19.0 1.0
CZ B:ARG76 3.5 23.1 1.0
O B:HOH678 3.5 32.7 1.0
NH2 B:ARG76 3.6 20.1 1.0
CD B:ARG76 3.6 17.7 1.0
CE1 B:HIS75 3.9 19.6 1.0
CA B:MET1 4.0 21.8 1.0
NH1 B:ARG76 4.1 18.0 1.0
CB B:MET1 4.2 25.8 1.0
CG B:ARG76 4.5 18.8 1.0
ND1 B:HIS75 4.5 19.6 1.0
SD B:MET1 4.7 54.6 1.0
NE2 B:HIS75 4.9 18.2 1.0
OD1 B:ASP74 4.9 18.1 1.0

Reference:

A.A.Fedorov, E.V.Fedorov, A.Sakai, J.A.Gerlt, S.C.Almo. Crystal Structure of D-Glucarate Dehydratase From Agrobacterium Tumefaciens Complexed with Magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate To Be Published.
Page generated: Sun Jul 21 20:02:30 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy