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Chlorine in PDB 6m4u: Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin

Enzymatic activity of Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin

All present enzymatic activity of Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin:
2.7.11.1; 5.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin, PDB code: 6m4u was solved by M.Kikuchi, D.Wu, T.Inoue, T.Umehara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.40 / 2.20
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.034, 67.419, 69.793, 90.00, 107.20, 90.00
R / Rfree (%) 19.8 / 25.8

Other elements in 6m4u:

The structure of Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin also contains other interesting chemical elements:

Zinc (Zn) 14 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin (pdb code 6m4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin, PDB code: 6m4u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 6m4u

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Chlorine binding site 1 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:49.2
occ:1.00
 ZN A:ZN203 2.5 36.1 1.0
OXT A:GLU108 3.2 27.2 1.0
C A:GLU108 3.4 26.0 1.0
CA A:GLU108 3.5 25.3 1.0
O A:LEU107 3.7 23.3 1.0
NZ E:LYS106 3.9 34.4 1.0
CL E:CL203 3.9 51.7 1.0
NE2 A:GLN21 4.0 33.0 1.0
OE2 E:GLU108 4.0 31.5 1.0
N A:GLU108 4.0 24.5 1.0
C A:LEU107 4.1 23.9 1.0
O A:GLU108 4.2 26.4 1.0
O A:HOH342 4.8 26.5 1.0
CB A:GLU108 4.9 25.0 1.0
CD A:GLN21 4.9 34.0 1.0
CG A:GLN21 5.0 34.8 1.0

Chlorine binding site 2 out of 7 in 6m4u

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Chlorine binding site 2 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:62.1
occ:1.00
 NZ A:LYS48 2.4 32.4 1.0
NZ A:LYS106 2.7 28.5 1.0
ZN A:ZN204 2.9 42.6 1.0
CE A:LYS106 3.4 27.9 1.0
CE A:LYS48 3.8 31.6 1.0
CL E:CL204 3.9 58.5 1.0
CG1 A:VAL24 3.9 19.8 1.0
OE2 A:GLU108 4.1 23.9 1.0
CG A:PRO46 4.6 23.4 1.0
CG2 A:VAL24 4.6 19.9 1.0
CB A:VAL24 4.9 19.8 1.0
OXT E:GLU108 4.9 35.0 1.0
CD A:LYS106 4.9 26.9 1.0
CD A:LYS48 4.9 30.3 1.0
CB A:PRO46 4.9 23.1 1.0
O A:HOH375 5.0 40.2 1.0

Chlorine binding site 3 out of 7 in 6m4u

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Chlorine binding site 3 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2206

b:21.5
occ:1.00
 ZN F:ZN2201 2.2 19.4 1.0
OE1 B:GLU2025 3.2 26.0 1.0
N B:LYS2113 3.4 32.8 1.0
NE2 F:HIS2028 3.4 19.4 1.0
CA B:SER2112 3.5 30.1 1.0
OE2 F:GLU2032 3.5 19.9 1.0
ND1 B:HIS2028 3.5 17.5 1.0
CE1 F:HIS2028 3.7 19.4 1.0
CD2 B:HIS2024 3.8 22.5 1.0
C B:SER2112 3.9 31.4 1.0
CG B:HIS2028 3.9 17.7 1.0
OG B:SER2112 4.0 30.1 1.0
CB B:SER2112 4.0 30.1 1.0
CB B:HIS2028 4.1 17.9 1.0
NE2 B:HIS2024 4.2 22.7 1.0
CE1 B:HIS2028 4.2 17.4 1.0
O B:ILE2111 4.2 28.2 1.0
OE1 F:GLU2032 4.3 20.3 1.0
CD F:GLU2032 4.3 20.2 1.0
CD B:GLU2025 4.3 25.9 1.0
N B:SER2112 4.5 28.5 1.0
CA B:LYS2113 4.5 34.8 1.0
CB B:LYS2113 4.5 34.9 1.0
C B:ILE2111 4.7 27.5 1.0
CD2 F:HIS2028 4.7 19.2 1.0
O B:HOH2307 4.8 29.5 1.0
CD2 B:HIS2028 4.8 17.6 1.0
O B:HIS2024 4.9 23.0 1.0
NE2 B:HIS2028 4.9 17.7 1.0
O B:LYS2113 4.9 35.5 1.0

Chlorine binding site 4 out of 7 in 6m4u

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Chlorine binding site 4 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2207

b:19.8
occ:1.00
 ZN B:ZN2201 2.2 19.2 1.0
OE1 F:GLU2025 3.3 21.6 1.0
N F:LYS2113 3.3 34.5 1.0
OE1 B:GLU2032 3.3 18.5 1.0
NE2 B:HIS2028 3.4 17.7 1.0
CA F:SER2112 3.5 32.2 1.0
CD2 F:HIS2024 3.7 21.7 1.0
ND1 F:HIS2028 3.7 19.5 1.0
CE1 B:HIS2028 3.9 17.4 1.0
CG F:LYS2113 3.9 35.9 1.0
C F:SER2112 3.9 33.5 1.0
CG F:HIS2028 3.9 19.1 1.0
CB F:HIS2028 4.0 18.8 1.0
NE2 F:HIS2024 4.1 22.2 1.0
CD B:GLU2032 4.1 18.9 1.0
OE2 B:GLU2032 4.1 19.1 1.0
O F:ILE2111 4.2 32.8 1.0
CB F:SER2112 4.2 32.2 1.0
CB F:LYS2113 4.2 35.7 1.0
OG F:SER2112 4.3 32.5 1.0
CA F:LYS2113 4.4 35.3 1.0
CE1 F:HIS2028 4.4 19.4 1.0
CD F:GLU2025 4.4 21.8 1.0
N F:SER2112 4.5 31.9 1.0
CD2 B:HIS2028 4.7 17.6 1.0
C F:ILE2111 4.7 32.0 1.0
O F:HIS2024 4.7 21.1 1.0
CD2 F:HIS2028 4.7 19.2 1.0
O F:HOH2301 4.9 26.4 1.0
CG F:HIS2024 5.0 21.4 1.0
OE2 F:GLU2025 5.0 21.8 1.0
NE2 F:HIS2028 5.0 19.4 1.0
CD F:LYS2113 5.0 36.3 1.0

Chlorine binding site 5 out of 7 in 6m4u

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Chlorine binding site 5 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl203

b:51.7
occ:1.00
 ZN A:ZN203 2.7 36.1 1.0
CE E:LYS48 3.5 30.8 1.0
CG1 E:VAL24 3.9 23.4 1.0
CL A:CL205 3.9 49.2 1.0
OE2 E:GLU108 3.9 31.5 1.0
NZ E:LYS106 4.1 34.4 1.0
CG2 E:VAL24 4.1 23.6 1.0
NZ E:LYS48 4.2 31.4 1.0
CD E:LYS106 4.4 32.7 1.0
OE1 E:GLU108 4.4 31.4 1.0
CD E:LYS48 4.5 29.7 1.0
OXT A:GLU108 4.5 27.2 1.0
CD E:GLU108 4.5 31.6 1.0
CB E:VAL24 4.6 23.3 1.0
CE E:LYS106 4.6 33.5 1.0
CG E:LYS48 4.7 28.5 1.0

Chlorine binding site 6 out of 7 in 6m4u

Go back to Chlorine Binding Sites List in 6m4u
Chlorine binding site 6 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl204

b:58.5
occ:1.00
 ZN A:ZN204 2.9 42.6 1.0
O E:LEU107 3.6 31.9 1.0
NE2 E:GLN21 3.8 32.8 1.0
CA E:GLU108 3.8 32.4 1.0
OXT E:GLU108 3.8 35.0 1.0
C E:LEU107 3.9 31.2 1.0
CL A:CL206 3.9 62.1 1.0
C E:GLU108 4.0 33.6 1.0
N E:GLU108 4.0 32.0 1.0
O E:HOH342 4.0 31.0 1.0
OE2 A:GLU108 4.3 23.9 1.0
CE A:LYS106 4.5 27.9 1.0
CB E:LEU107 4.7 30.5 1.0
O E:GLU108 4.8 34.7 1.0
CA E:LEU107 4.9 30.5 1.0
CD E:GLN21 5.0 33.4 1.0

Chlorine binding site 7 out of 7 in 6m4u

Go back to Chlorine Binding Sites List in 6m4u
Chlorine binding site 7 out of 7 in the Crystal Structure of Fkbp-Frb T2098L Mutant in Complex with Rapamycin


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 Fkbp-Frb T2098L Mutant in Complex with Rapamycin within 5.0Å range:
probe atom residue distance (Å) B Occ
F:Cl2207

b:30.8
occ:1.00
 ZN F:ZN2204 2.2 26.3 1.0
N F:HIS2024 3.2 22.3 1.0
ND1 F:HIS2024 3.5 21.8 1.0
N F:TRP2023 3.6 23.9 1.0
CB F:HIS2024 3.7 21.5 1.0
O F:HOH2344 3.7 18.1 1.0
O F:HOH2332 3.7 36.8 1.0
O F:HOH2352 3.8 27.5 1.0
CB F:TRP2023 3.8 24.4 1.0
CA F:TRP2023 4.0 23.7 1.0
CD2 F:PHE2070 4.0 28.2 1.0
CA F:HIS2024 4.0 21.8 1.0
CG F:HIS2024 4.1 21.4 1.0
C F:TRP2023 4.1 23.0 1.0
CB F:PHE2070 4.1 29.9 1.0
O F:LYS2066 4.3 40.5 1.0
CG F:PHE2070 4.4 28.9 1.0
C F:LEU2022 4.4 24.1 1.0
CB F:LYS2066 4.6 44.3 1.0
C F:LYS2066 4.6 41.2 1.0
CB F:LEU2022 4.7 24.6 1.0
CE1 F:HIS2024 4.7 21.9 1.0
CA F:LEU2022 4.7 24.4 1.0
CE2 F:PHE2070 4.9 28.1 1.0
N F:GLU2067 5.0 38.7 1.0

Reference:

H.D.Wu, M.Kikuchi, O.Dagliyan, A.K.Aragaki, H.Nakamura, N.V.Dokholyan, T.Umehara, T.Inoue. Rational Design and Implementation of A Chemically Inducible Heterotrimerization System. Nat.Methods V. 17 928 2020.
ISSN: ESSN 1548-7105
PubMed: 32747768
DOI: 10.1038/S41592-020-0913-X
Page generated: Sun Jul 28 03:02:36 2024

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