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

Go back to Chlorine Binding Sites List in 6m4u
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

Go back to Chlorine Binding Sites List in 6m4u
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

Go back to Chlorine Binding Sites List in 6m4u
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

Go back to Chlorine Binding Sites List in 6m4u
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

Go back to Chlorine Binding Sites List in 6m4u
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: Sat Dec 12 13:19:56 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy