Atomistry » Chlorine » PDB 2ol1-2ou3 » 2omw
Atomistry »
  Chlorine »
    PDB 2ol1-2ou3 »
      2omw »

Chlorine in PDB 2omw: Crystal Structure of Inla S192N Y369S/MEC1 Complex

Protein crystallography data

The structure of Crystal Structure of Inla S192N Y369S/MEC1 Complex, PDB code: 2omw was solved by T.Wollert, D.W.Heinz, W.D.Schubert, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 110.43 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.510, 112.281, 55.941, 90.00, 101.53, 90.00
R / Rfree (%) 16.5 / 20.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Inla S192N Y369S/MEC1 Complex (pdb code 2omw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Inla S192N Y369S/MEC1 Complex, PDB code: 2omw:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 2omw

Go back to Chlorine Binding Sites List in 2omw
Chlorine binding site 1 out of 5 in the Crystal Structure of Inla S192N Y369S/MEC1 Complex


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 Inla S192N Y369S/MEC1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl973

b:19.5
occ:1.00
O B:HOH130 3.0 24.9 1.0
O A:HOH1065 3.1 13.9 1.0
ND2 A:ASN325 3.2 7.0 1.0
O B:HOH118 3.3 21.4 1.0
C A:GLY303 3.8 11.3 1.0
CA A:GLY303 3.8 13.0 1.0
CB A:ALA281 3.9 12.3 1.0
ND2 A:ASN282 3.9 15.5 0.4
O A:GLY303 4.0 10.2 1.0
CB A:ALA304 4.1 9.8 1.0
CG A:ASN325 4.1 13.1 1.0
OD1 A:ASN325 4.2 13.8 1.0
N A:ALA304 4.2 7.9 1.0
OD1 A:ASN282 4.3 15.4 0.4
OE2 A:GLU326 4.4 15.3 1.0
CG A:ASN282 4.4 16.1 0.4
NZ B:LYS25 4.4 30.8 1.0
N A:GLY303 4.5 9.9 1.0
O B:HOH218 4.5 23.4 1.0
O A:HOH1627 4.7 48.7 1.0
CA A:ALA304 4.8 8.8 1.0
OE1 B:GLN23 4.8 25.5 1.0
N A:ASN282 4.9 12.1 0.4
O A:HOH994 4.9 5.9 1.0
N A:ASN282 4.9 11.0 0.6
CA A:ALA281 5.0 11.9 1.0

Chlorine binding site 2 out of 5 in 2omw

Go back to Chlorine Binding Sites List in 2omw
Chlorine binding site 2 out of 5 in the Crystal Structure of Inla S192N Y369S/MEC1 Complex


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 Inla S192N Y369S/MEC1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl974

b:16.5
occ:1.00
OG A:SER389 2.8 12.6 1.0
OG A:SER369 2.9 12.2 1.0
CB A:SER369 3.3 7.6 1.0
N A:SER369 3.3 9.6 1.0
O B:HOH106 3.3 14.8 1.0
CB A:TYR347 3.5 10.4 1.0
CB A:SER389 3.5 11.5 1.0
CB A:PHE367 3.6 10.8 1.0
N A:PHE368 3.8 9.2 1.0
CG A:TYR347 3.8 8.3 1.0
CA A:PHE367 3.9 10.7 1.0
CA A:SER369 3.9 11.7 1.0
CD1 A:TYR347 3.9 9.2 1.0
CD2 A:PHE367 3.9 11.8 1.0
C A:PHE367 3.9 10.8 1.0
O A:SER389 3.9 10.1 1.0
O B:HOH144 4.1 31.0 1.0
CG A:PHE367 4.2 11.2 1.0
C A:SER389 4.4 12.5 1.0
C A:PHE368 4.4 11.1 1.0
ND2 B:ASN27 4.4 18.2 1.0
CA A:PHE368 4.5 12.0 1.0
CA A:SER389 4.6 11.5 1.0
O A:PHE367 4.7 11.6 1.0
CG2 B:VAL3 4.7 15.7 1.0
O A:HOH986 4.7 13.1 1.0
CA A:TYR347 4.8 11.7 1.0
CD2 A:TYR347 4.8 10.3 1.0
C A:SER369 4.8 12.1 1.0
O A:SER369 4.8 10.6 1.0
CE1 A:TYR347 4.9 10.4 1.0

Chlorine binding site 3 out of 5 in 2omw

Go back to Chlorine Binding Sites List in 2omw
Chlorine binding site 3 out of 5 in the Crystal Structure of Inla S192N Y369S/MEC1 Complex


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 Inla S192N Y369S/MEC1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl975

b:22.6
occ:1.00
O A:HOH1203 3.1 20.4 1.0
NZ A:LYS56 3.1 15.4 1.0
N A:GLN82 3.3 17.0 0.3
N A:GLN82 3.3 15.0 0.7
CE A:LYS56 3.6 15.1 1.0
CB A:GLN82 3.8 18.4 0.3
CA A:LEU81 4.0 16.9 1.0
CG A:GLN82 4.0 17.4 0.7
CA A:GLN82 4.0 17.4 0.3
O A:GLN82 4.1 16.2 0.3
O A:GLN82 4.1 15.2 0.7
CB A:GLN82 4.1 15.6 0.7
CG2 A:VAL60 4.1 14.0 1.0
CA A:GLN82 4.2 15.7 0.7
C A:LEU81 4.2 18.3 1.0
O A:THR80 4.3 19.0 0.5
O A:THR80 4.4 18.5 0.5
CD1 A:LEU81 4.4 12.1 1.0
C A:GLN82 4.4 16.0 0.3
C A:GLN82 4.5 14.7 0.7
N A:LEU81 4.7 16.8 1.0
O A:HOH1240 4.8 23.5 1.0
C A:THR80 4.8 17.3 0.5
C A:THR80 4.8 17.2 0.5
CG A:GLN82 4.9 21.2 0.3

Chlorine binding site 4 out of 5 in 2omw

Go back to Chlorine Binding Sites List in 2omw
Chlorine binding site 4 out of 5 in the Crystal Structure of Inla S192N Y369S/MEC1 Complex


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 Inla S192N Y369S/MEC1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl972

b:30.4
occ:1.00
O A:HOH1081 2.8 13.9 1.0
O A:HOH1134 2.8 16.1 0.4
O A:THR408 2.9 9.1 1.0
N A:THR483 3.2 10.6 1.0
O A:HOH1167 3.3 19.4 1.0
OE1 A:GLN409 3.5 17.5 1.0
CA A:GLY482 3.6 9.6 1.0
CD B:PRO-2 3.6 21.7 1.0
CG B:PRO-2 3.6 19.8 1.0
O A:LYS481 3.6 12.8 1.0
C A:GLY482 3.9 11.5 1.0
CB B:PRO-2 3.9 19.7 1.0
C A:THR408 4.0 9.0 1.0
CD A:GLN409 4.0 16.1 1.0
CA A:GLN409 4.1 9.2 1.0
CA A:THR483 4.2 11.9 1.0
O A:THR483 4.2 8.4 1.0
O A:HOH1719 4.2 34.6 1.0
CB A:THR483 4.2 10.2 1.0
NE2 A:GLN409 4.3 19.6 1.0
OG1 A:THR483 4.4 12.1 1.0
C A:LYS481 4.4 11.2 1.0
N A:GLN409 4.5 9.8 1.0
N A:GLY482 4.5 8.0 1.0
N B:PRO-2 4.5 19.6 1.0
C A:THR483 4.7 9.0 1.0
N A:LEU410 4.7 10.5 1.0
CA B:PRO-2 4.8 19.8 1.0
C A:GLN409 4.9 10.1 1.0
N B:LEU-1 4.9 16.5 1.0
CG A:GLN409 4.9 13.0 1.0
CB A:GLN409 5.0 12.4 1.0

Chlorine binding site 5 out of 5 in 2omw

Go back to Chlorine Binding Sites List in 2omw
Chlorine binding site 5 out of 5 in the Crystal Structure of Inla S192N Y369S/MEC1 Complex


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 Inla S192N Y369S/MEC1 Complex within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl971

b:23.9
occ:1.00
O A:HOH1703 2.2 22.8 1.0
O A:THR49 2.4 15.2 1.0
O A:HOH1708 2.5 26.0 1.0
O A:HOH1700 2.6 20.9 1.0
O A:HOH1343 2.6 27.5 1.0
O A:HOH1711 2.6 25.3 1.0
O A:HOH1092 2.7 15.8 1.0
C A:THR49 3.4 16.4 1.0
CA A:THR49 3.9 16.8 1.0
OG1 A:THR51 4.0 17.8 1.0
O A:HOH1250 4.2 27.2 1.0
N A:THR51 4.4 11.6 1.0
N A:ASP50 4.4 13.2 1.0
O A:HOH1098 4.5 17.4 1.0
CB A:THR49 4.5 17.3 1.0
O A:HOH1128 4.6 17.1 1.0
C A:ASP50 4.6 12.9 1.0
O A:ASN45 4.7 17.2 1.0
CA A:ASP50 4.8 11.5 1.0
O A:HOH1718 4.8 30.9 1.0
CA A:THR51 4.8 13.7 1.0
O A:PHE48 4.9 14.7 1.0

Reference:

T.Wollert, B.Pasche, M.Rochon, S.Deppenmeier, J.Van Den Heuvel, A.D.Gruber, D.W.Heinz, A.Lengeling, W.D.Schubert. Extending the Host Range of Listeria Monocytogenes By Rational Protein Design. Cell(Cambridge,Mass.) V. 129 891 2007.
ISSN: ISSN 0092-8674
PubMed: 17540170
DOI: 10.1016/J.CELL.2007.03.049
Page generated: Sat Dec 12 09:13:41 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