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Manganese in PDB 3m0l: Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose

Enzymatic activity of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose

All present enzymatic activity of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose:
5.3.1.14;

Protein crystallography data

The structure of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose, PDB code: 3m0l was solved by H.Yoshida, K.Takeda, K.Izumori, S.Kamitori, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 32.78 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 74.576, 104.117, 111.230, 90.00, 106.21, 90.00
R / Rfree (%) 17.8 / 21

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose (pdb code 3m0l). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 8 binding sites of Manganese where determined in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose, PDB code: 3m0l:
Jump to Manganese binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Manganese binding site 1 out of 8 in 3m0l

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Manganese binding site 1 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:18.7
occ:1.00
 ND1 A:HIS281 2.0 14.6 1.0
OD2 A:ASP327 2.1 16.8 1.0
OE2 A:GLU219 2.1 15.8 1.0
OD2 A:ASP254 2.2 11.7 1.0
O2 A:PSJ601 2.5 17.3 1.0
O3 A:PSJ601 2.5 21.2 1.0
CE1 A:HIS281 2.9 15.4 1.0
CD A:GLU219 3.0 15.2 1.0
CG A:HIS281 3.2 15.3 1.0
CG A:ASP327 3.2 17.5 1.0
OE1 A:GLU219 3.2 17.8 1.0
CG A:ASP254 3.3 11.9 1.0
C2 A:PSJ601 3.3 19.4 1.0
C3 A:PSJ601 3.4 19.7 1.0
CB A:HIS281 3.6 14.2 1.0
CB A:ASP327 3.7 15.8 1.0
CB A:ASP254 3.8 12.0 1.0
CE1 A:HIS257 3.9 11.7 1.0
O5 A:PSJ601 4.0 22.2 1.0
NE2 A:HIS281 4.1 16.0 1.0
NE2 A:HIS257 4.1 12.0 1.0
O A:HOH1128 4.2 10.5 1.0
MN A:MN502 4.2 16.4 1.0
CD2 A:HIS281 4.2 16.6 1.0
OD1 A:ASP327 4.2 18.6 1.0
OD1 A:ASP254 4.4 9.9 1.0
C5 A:PSJ601 4.4 22.6 1.0
CG A:GLU219 4.4 15.0 1.0
C4 A:PSJ601 4.5 21.4 1.0
C1 A:PSJ601 4.7 18.6 1.0
ND1 A:HIS257 4.8 9.2 1.0
CA A:ASP254 5.0 12.3 1.0
O A:HOH1129 5.0 11.1 1.0

Manganese binding site 2 out of 8 in 3m0l

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Manganese binding site 2 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn502

b:16.4
occ:1.00
 O A:HOH1128 1.9 10.5 1.0
O1 A:PSJ601 2.0 17.8 1.0
NE2 A:HIS257 2.1 12.0 1.0
O A:HOH1129 2.2 11.1 1.0
OD2 A:ASP289 2.2 15.8 1.0
O2 A:PSJ601 2.3 17.3 1.0
C1 A:PSJ601 2.9 18.6 1.0
C2 A:PSJ601 3.0 19.4 1.0
CE1 A:HIS257 3.0 11.7 1.0
CG A:ASP289 3.0 13.9 1.0
OD1 A:ASP289 3.2 14.6 1.0
CD2 A:HIS257 3.2 12.9 1.0
OD2 A:ASP254 3.8 11.7 1.0
NZ A:LYS221 3.8 13.0 1.0
CE A:LYS221 3.9 9.9 1.0
O5 A:PSJ601 4.0 22.2 1.0
OD2 A:ASP291 4.0 13.0 1.0
OD1 A:ASP291 4.1 15.1 1.0
ND1 A:HIS257 4.2 9.2 1.0
MN A:MN501 4.2 18.7 1.0
CG A:HIS257 4.3 11.1 1.0
OD2 A:ASP327 4.3 16.8 1.0
CG A:ASP254 4.4 11.9 1.0
CB A:ASP289 4.4 12.4 1.0
CD A:LYS221 4.4 11.8 1.0
C3 A:PSJ601 4.4 19.7 1.0
NH2 B:ARG65 4.5 11.0 1.0
CG A:ASP291 4.5 13.8 1.0
OD1 A:ASP254 4.6 9.9 1.0
CZ B:PHE66 4.8 19.3 1.0
OE2 A:GLU219 4.8 15.8 1.0
O3 A:PSJ601 4.9 21.2 1.0

Manganese binding site 3 out of 8 in 3m0l

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Manganese binding site 3 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn503

b:16.9
occ:1.00
 ND1 B:HIS281 2.0 17.1 1.0
OD2 B:ASP327 2.0 14.0 1.0
OD2 B:ASP254 2.2 13.1 1.0
OE2 B:GLU219 2.2 12.7 1.0
O2 B:PSJ602 2.5 20.4 1.0
O3 B:PSJ602 2.5 20.0 1.0
CE1 B:HIS281 2.8 18.8 1.0
CD B:GLU219 3.1 13.8 1.0
CG B:ASP327 3.1 13.7 1.0
CG B:HIS281 3.1 17.8 1.0
CG B:ASP254 3.3 13.4 1.0
C2 B:PSJ602 3.3 19.3 1.0
OE1 B:GLU219 3.3 16.0 1.0
C3 B:PSJ602 3.5 19.2 1.0
CB B:HIS281 3.6 15.7 1.0
CB B:ASP327 3.7 13.2 1.0
CB B:ASP254 3.8 11.9 1.0
NE2 B:HIS281 4.0 21.3 1.0
CE1 B:HIS257 4.0 12.8 1.0
O B:HOH805 4.0 11.3 1.0
O5 B:PSJ602 4.1 22.3 1.0
MN B:MN504 4.1 18.0 1.0
CD2 B:HIS281 4.1 18.6 1.0
OD1 B:ASP327 4.2 12.9 1.0
NE2 B:HIS257 4.2 13.4 1.0
OD1 B:ASP254 4.3 13.8 1.0
C5 B:PSJ602 4.4 23.4 1.0
CG B:GLU219 4.5 11.3 1.0
C4 B:PSJ602 4.5 21.6 1.0
C1 B:PSJ602 4.8 17.5 1.0
ND1 B:HIS257 4.8 13.6 1.0
CA B:ASP254 5.0 11.6 1.0

Manganese binding site 4 out of 8 in 3m0l

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Manganese binding site 4 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn504

b:18.0
occ:1.00
 O B:HOH805 2.0 11.3 1.0
NE2 B:HIS257 2.1 13.4 1.0
O1 B:PSJ602 2.2 15.4 1.0
OD2 B:ASP289 2.2 13.8 1.0
O2 B:PSJ602 2.2 20.4 1.0
O B:HOH1132 2.2 14.6 1.0
CE1 B:HIS257 2.9 12.8 1.0
C2 B:PSJ602 2.9 19.3 1.0
C1 B:PSJ602 2.9 17.5 1.0
CG B:ASP289 3.0 14.7 1.0
OD1 B:ASP289 3.2 15.8 1.0
CD2 B:HIS257 3.2 12.4 1.0
NZ B:LYS221 3.8 13.1 1.0
O5 B:PSJ602 3.9 22.3 1.0
OD2 B:ASP254 3.9 13.1 1.0
CE B:LYS221 4.0 11.5 1.0
ND1 B:HIS257 4.1 13.6 1.0
OD2 B:ASP291 4.1 17.6 1.0
OD1 B:ASP291 4.1 15.2 1.0
MN B:MN503 4.1 16.9 1.0
CG B:HIS257 4.3 10.6 1.0
OD2 B:ASP327 4.3 14.0 1.0
CG B:ASP254 4.4 13.4 1.0
C3 B:PSJ602 4.4 19.2 1.0
CB B:ASP289 4.4 12.6 1.0
CD B:LYS221 4.5 10.5 1.0
CG B:ASP291 4.5 15.4 1.0
NH2 A:ARG65 4.5 15.7 1.0
OD1 B:ASP254 4.6 13.8 1.0
OE2 B:GLU219 4.6 12.7 1.0
CZ A:PHE66 4.8 16.0 1.0
O3 B:PSJ602 4.9 20.0 1.0

Manganese binding site 5 out of 8 in 3m0l

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Manganese binding site 5 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 5 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn505

b:19.5
occ:1.00
 OD2 C:ASP327 2.0 21.3 1.0
ND1 C:HIS281 2.0 19.9 1.0
OD2 C:ASP254 2.1 15.1 1.0
OE2 C:GLU219 2.2 19.8 1.0
O2 C:PSJ603 2.4 19.1 1.0
O3 C:PSJ603 2.5 21.9 1.0
CE1 C:HIS281 2.9 22.3 1.0
CG C:ASP327 3.1 19.4 1.0
CD C:GLU219 3.1 19.2 1.0
CG C:HIS281 3.2 22.1 1.0
C2 C:PSJ603 3.2 19.9 1.0
CG C:ASP254 3.3 13.3 1.0
OE1 C:GLU219 3.4 22.3 1.0
C3 C:PSJ603 3.4 22.4 1.0
CB C:HIS281 3.7 22.2 1.0
CB C:ASP327 3.7 17.2 1.0
CB C:ASP254 3.8 11.8 1.0
CE1 C:HIS257 3.9 13.4 1.0
O5 C:PSJ603 4.0 25.2 1.0
NE2 C:HIS281 4.0 22.3 1.0
O C:HOH1131 4.1 18.9 1.0
OD1 C:ASP327 4.1 20.7 1.0
NE2 C:HIS257 4.1 16.5 1.0
MN C:MN506 4.1 19.8 1.0
CD2 C:HIS281 4.2 23.0 1.0
OD1 C:ASP254 4.3 12.5 1.0
C5 C:PSJ603 4.4 26.0 1.0
CG C:GLU219 4.5 17.0 1.0
C4 C:PSJ603 4.5 24.7 1.0
C1 C:PSJ603 4.7 18.1 1.0
ND1 C:HIS257 4.9 16.6 1.0
CD2 C:LEU252 4.9 21.5 1.0
O C:HOH1130 5.0 14.5 1.0

Manganese binding site 6 out of 8 in 3m0l

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Manganese binding site 6 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 6 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mn506

b:19.8
occ:1.00
 O C:HOH1131 2.0 18.9 1.0
O1 C:PSJ603 2.1 16.2 1.0
O C:HOH1130 2.1 14.5 1.0
OD2 C:ASP289 2.2 17.6 1.0
NE2 C:HIS257 2.2 16.5 1.0
O2 C:PSJ603 2.3 19.1 1.0
C1 C:PSJ603 2.9 18.1 1.0
C2 C:PSJ603 2.9 19.9 1.0
CG C:ASP289 3.0 13.9 1.0
CE1 C:HIS257 3.1 13.4 1.0
OD1 C:ASP289 3.2 14.6 1.0
CD2 C:HIS257 3.3 14.7 1.0
NZ C:LYS221 3.7 14.7 1.0
OD2 C:ASP254 3.8 15.1 1.0
CE C:LYS221 3.8 13.0 1.0
O5 C:PSJ603 4.0 25.2 1.0
OD2 C:ASP291 4.0 17.7 1.0
OD1 C:ASP291 4.0 17.3 1.0
MN C:MN505 4.1 19.5 1.0
ND1 C:HIS257 4.2 16.6 1.0
CD C:LYS221 4.3 13.7 1.0
NH1 D:ARG65 4.4 16.4 1.0
CG C:HIS257 4.4 14.2 1.0
CB C:ASP289 4.4 13.8 1.0
CG C:ASP254 4.4 13.3 1.0
C3 C:PSJ603 4.4 22.4 1.0
CG C:ASP291 4.4 16.9 1.0
OD2 C:ASP327 4.6 21.3 1.0
OD1 C:ASP254 4.7 12.5 1.0
CZ D:PHE66 4.7 16.8 1.0
O3 C:PSJ603 4.9 21.9 1.0
OE2 C:GLU219 4.9 19.8 1.0

Manganese binding site 7 out of 8 in 3m0l

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Manganese binding site 7 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 7 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn507

b:15.0
occ:1.00
 OD2 D:ASP327 2.0 15.6 1.0
ND1 D:HIS281 2.1 10.7 1.0
OE2 D:GLU219 2.1 12.0 1.0
OD2 D:ASP254 2.2 11.1 1.0
O3 D:PSJ604 2.4 17.4 1.0
O2 D:PSJ604 2.4 17.4 1.0
CE1 D:HIS281 2.9 14.5 1.0
CD D:GLU219 3.1 16.4 1.0
CG D:ASP327 3.1 15.1 1.0
CG D:HIS281 3.2 13.8 1.0
C2 D:PSJ604 3.3 17.6 1.0
CG D:ASP254 3.3 14.0 1.0
OE1 D:GLU219 3.3 14.4 1.0
C3 D:PSJ604 3.4 16.6 1.0
CB D:HIS281 3.6 15.0 1.0
CB D:ASP327 3.7 13.7 1.0
CB D:ASP254 3.7 13.3 1.0
O D:HOH439 4.0 10.1 1.0
CE1 D:HIS257 4.0 13.6 1.0
O5 D:PSJ604 4.0 19.9 1.0
NE2 D:HIS281 4.1 13.5 1.0
OD1 D:ASP327 4.2 14.3 1.0
MN D:MN508 4.2 15.8 1.0
NE2 D:HIS257 4.2 11.7 1.0
CD2 D:HIS281 4.2 13.7 1.0
C5 D:PSJ604 4.4 19.9 1.0
OD1 D:ASP254 4.4 13.2 1.0
C4 D:PSJ604 4.5 19.4 1.0
CG D:GLU219 4.5 10.8 1.0
C1 D:PSJ604 4.7 18.3 1.0
ND1 D:HIS257 4.9 13.2 1.0
CD2 D:LEU252 4.9 17.5 1.0
CA D:ASP254 5.0 11.9 1.0
O D:HOH1127 5.0 14.6 1.0

Manganese binding site 8 out of 8 in 3m0l

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Manganese binding site 8 out of 8 in the Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 8 of Crystal Structure of Pseudomonas Stutzeri L-Rhamnose Isomerase Mutant S329F in Complex with D-Psicose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mn508

b:15.8
occ:1.00
 O D:HOH439 2.0 10.1 1.0
O1 D:PSJ604 2.1 16.1 1.0
OD2 D:ASP289 2.1 13.2 1.0
O D:HOH1127 2.2 14.6 1.0
NE2 D:HIS257 2.2 11.7 1.0
O2 D:PSJ604 2.2 17.4 1.0
C1 D:PSJ604 2.9 18.3 1.0
C2 D:PSJ604 2.9 17.6 1.0
CG D:ASP289 3.0 14.7 1.0
CE1 D:HIS257 3.0 13.6 1.0
OD1 D:ASP289 3.2 14.2 1.0
CD2 D:HIS257 3.3 10.0 1.0
NZ D:LYS221 3.9 11.6 1.0
OD2 D:ASP254 3.9 11.1 1.0
O5 D:PSJ604 3.9 19.9 1.0
OD2 D:ASP291 4.0 13.7 1.0
CE D:LYS221 4.0 10.1 1.0
OD1 D:ASP291 4.1 15.9 1.0
MN D:MN507 4.2 15.0 1.0
ND1 D:HIS257 4.2 13.2 1.0
CB D:ASP289 4.3 12.4 1.0
OD2 D:ASP327 4.3 15.6 1.0
CG D:HIS257 4.4 11.0 1.0
C3 D:PSJ604 4.4 16.6 1.0
NH2 C:ARG65 4.4 17.3 1.0
CG D:ASP254 4.4 14.0 1.0
CD D:LYS221 4.4 11.0 1.0
CG D:ASP291 4.5 12.9 1.0
OD1 D:ASP254 4.6 13.2 1.0
CZ C:PHE66 4.8 17.3 1.0
OE2 D:GLU219 4.8 12.0 1.0
O3 D:PSJ604 4.9 17.4 1.0

Reference:

H.Yoshida, K.Takeda, K.Izumori, S.Kamitori. Elucidation of the Role of SER329 and the C-Terminal Region in the Catalytic Activity of Pseudomonas Stutzeri L-Rhamnose Isomerase Protein Eng.Des.Sel. V. 23 919 2010.
ISSN: ISSN 1741-0126
PubMed: 20977999
DOI: 10.1093/PROTEIN/GZQ077
Page generated: Sat Oct 5 16:56:16 2024

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