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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

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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

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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

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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

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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

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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 Jul 20 09:39:39 2024

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