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Chlorine in PDB 7mzs: Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose

Protein crystallography data

The structure of Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose, PDB code: 7mzs was solved by T.Ve, A.W.Lo, M.A.Schembri, B.Kobe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.68 / 1.72
Space group I 4
Cell size a, b, c (Å), α, β, γ (°) 79.36, 79.36, 70.36, 90, 90, 90
R / Rfree (%) 17.3 / 20.3

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose (pdb code 7mzs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose, PDB code: 7mzs:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 7mzs

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Chlorine binding site 1 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:22.5
occ:1.00
H A:GLN183 2.4 17.0 1.0
O A:HOH574 2.7 42.5 1.0
HA A:LYS182 3.0 12.5 1.0
HE3 A:LYS182 3.0 28.4 1.0
N A:GLN183 3.2 14.2 1.0
HD21 A:LEU83 3.5 13.8 1.0
HB3 A:GLN183 3.6 14.2 1.0
HB3 A:LYS182 3.6 13.0 1.0
HD2 A:LYS182 3.7 26.5 1.0
CA A:LYS182 3.8 10.4 1.0
CE A:LYS182 3.9 23.7 1.0
C A:LYS182 4.0 9.7 1.0
O A:HOH429 4.0 18.8 1.0
CA A:GLN183 4.1 9.1 1.0
CB A:GLN183 4.2 11.9 1.0
O A:GLN183 4.2 13.6 1.0
CB A:LYS182 4.2 10.8 1.0
HZ1 A:LYS182 4.3 39.4 1.0
HB2 A:GLN183 4.3 14.2 1.0
CD A:LYS182 4.3 22.1 1.0
HD23 A:LEU83 4.3 13.8 1.0
CD2 A:LEU83 4.3 11.5 1.0
O A:HOH468 4.4 25.0 1.0
O A:THR181 4.6 12.5 1.0
NZ A:LYS182 4.6 32.8 1.0
C A:GLN183 4.6 13.4 1.0
HE2 A:LYS182 4.6 28.4 1.0
O A:HOH581 4.6 32.3 1.0
HD22 A:LEU83 4.7 13.8 1.0
HZ3 A:LYS182 4.7 39.4 1.0
CG A:LYS182 4.9 16.9 1.0
N A:LYS182 5.0 10.7 1.0
HA A:GLN183 5.0 11.0 1.0
HB2 A:LYS182 5.0 13.0 1.0

Chlorine binding site 2 out of 6 in 7mzs

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Chlorine binding site 2 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:20.7
occ:1.00
H A:ALA194 2.4 20.5 1.0
HA A:ARG193 2.9 13.9 1.0
HG3 A:ARG193 3.0 14.5 1.0
O A:HOH516 3.0 17.9 1.0
N A:ALA194 3.3 17.1 1.0
HB3 A:ALA194 3.6 26.7 1.0
CA A:ARG193 3.7 11.6 1.0
HB2 A:ALA194 3.8 26.7 1.0
CG A:ARG193 4.0 12.1 1.0
C A:ARG193 4.0 11.9 1.0
CB A:ALA194 4.0 22.3 1.0
O A:ASN192 4.1 14.6 1.0
H A:SER195 4.2 16.5 1.0
CA A:ALA194 4.3 17.3 1.0
HG2 A:ARG193 4.4 14.5 1.0
CB A:ARG193 4.4 10.6 1.0
HB2 A:ARG193 4.7 12.7 1.0
O A:HOH528 4.8 25.3 1.0
N A:ARG193 4.8 11.0 1.0
HD2 A:ARG193 4.8 13.8 1.0
CD A:ARG193 4.9 11.5 1.0
C A:ASN192 4.9 16.0 1.0
HA A:ALA194 4.9 20.8 1.0
N A:SER195 4.9 13.8 1.0
HB1 A:ALA194 4.9 26.7 1.0
HD3 A:ARG193 4.9 13.8 1.0

Chlorine binding site 3 out of 6 in 7mzs

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Chlorine binding site 3 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:17.4
occ:1.00
H A:PHE93 2.4 18.6 1.0
HD22 A:ASN98 2.6 28.0 1.0
O A:HOH423 3.0 24.1 1.0
HB2 A:PHE93 3.0 21.8 1.0
HB2 A:ASN98 3.0 30.6 1.0
HD22 A:LEU129 3.1 20.8 1.0
HA A:ASN92 3.1 17.6 1.0
HZ A:PHE104 3.1 13.7 1.0
HD1 A:PHE93 3.2 16.4 1.0
N A:PHE93 3.2 15.5 1.0
O A:HOH511 3.3 25.6 1.0
ND2 A:ASN98 3.4 23.3 1.0
HD13 A:LEU129 3.6 19.4 1.0
OD1 A:ASN92 3.6 25.4 1.0
CB A:ASN98 3.8 25.5 1.0
CB A:PHE93 3.9 18.1 1.0
HD21 A:LEU129 3.9 20.8 1.0
CD2 A:LEU129 3.9 17.3 1.0
CA A:ASN92 3.9 14.7 1.0
HD21 A:ASN98 4.0 28.0 1.0
HE1 A:PHE104 4.0 13.8 1.0
CZ A:PHE104 4.0 11.4 1.0
HB3 A:ASN98 4.0 30.6 1.0
CD1 A:PHE93 4.0 13.7 1.0
C A:ASN92 4.1 13.1 1.0
CG A:ASN98 4.1 27.4 1.0
HG3 A:PRO131 4.1 25.4 1.0
CA A:PHE93 4.2 14.4 1.0
HB3 A:LEU129 4.2 17.7 1.0
CD1 A:LEU129 4.4 16.2 1.0
CE1 A:PHE104 4.4 11.5 1.0
CG A:PHE93 4.4 12.4 1.0
O A:TYR91 4.5 12.5 1.0
HG A:SER102 4.5 22.4 1.0
HD11 A:LEU129 4.5 19.4 1.0
CG A:ASN92 4.6 17.7 1.0
HD23 A:LEU129 4.6 20.8 1.0
HB3 A:PHE93 4.6 21.8 1.0
CG A:LEU129 4.6 16.6 1.0
O A:GLN100 4.7 29.3 1.0
O A:HOH404 4.7 25.4 1.0
H A:ASN98 4.7 27.5 1.0
HB2 A:SER102 4.7 22.9 1.0
O A:PHE93 4.8 19.6 1.0
CB A:ASN92 4.8 16.4 1.0
N A:ASN92 4.9 12.4 1.0
HA A:PHE93 4.9 17.3 1.0
CB A:LEU129 4.9 14.8 1.0
HB2 A:ASN92 5.0 19.7 1.0
C A:PHE93 5.0 19.8 1.0

Chlorine binding site 4 out of 6 in 7mzs

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Chlorine binding site 4 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl305

b:18.3
occ:1.00
H A:THR31 2.6 10.4 1.0
HA A:ILE30 2.7 12.1 1.0
HB2 A:ASN62 2.9 11.9 1.0
O A:HOH442 3.1 29.2 1.0
HG13 A:ILE30 3.2 9.4 1.0
O A:HOH411 3.4 24.5 1.0
N A:THR31 3.4 8.7 1.0
HD22 A:ASN62 3.5 19.0 1.0
CA A:ILE30 3.6 10.1 1.0
HB A:THR31 3.8 20.6 1.0
O A:PRO29 3.8 12.6 1.0
CB A:ASN62 3.9 9.9 1.0
ND2 A:ASN62 4.0 15.8 1.0
C A:ILE30 4.0 9.0 1.0
CG1 A:ILE30 4.1 7.9 1.0
O A:THR31 4.2 12.2 1.0
O A:SER61 4.2 10.3 1.0
HB3 A:ASN62 4.3 11.9 1.0
CG A:ASN62 4.3 14.2 1.0
CB A:ILE30 4.3 7.7 1.0
CA A:THR31 4.3 11.5 1.0
CB A:THR31 4.4 17.2 1.0
HB A:ILE30 4.4 9.3 1.0
O A:HOH599 4.5 39.2 1.0
HG12 A:ILE30 4.5 9.4 1.0
HB A:THR60 4.5 15.4 1.0
O A:HOH447 4.5 24.0 1.0
C A:PRO29 4.5 11.4 1.0
N A:ILE30 4.6 9.1 1.0
HD21 A:ASN62 4.6 19.0 1.0
OG1 A:THR31 4.6 19.5 1.0
O A:HOH606 4.7 32.9 1.0
HA A:ASN62 4.7 11.4 1.0
C A:THR31 4.7 10.8 1.0
C A:SER61 4.8 10.6 1.0
CA A:ASN62 4.8 9.5 1.0
HG1 A:THR60 4.9 16.0 1.0
HG1 A:THR31 4.9 23.4 1.0

Chlorine binding site 5 out of 6 in 7mzs

Go back to Chlorine Binding Sites List in 7mzs
Chlorine binding site 5 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:23.6
occ:1.00
H A:GLN63 2.3 13.7 1.0
HA A:ASN62 3.0 11.4 1.0
N A:GLN63 3.1 11.4 1.0
O A:HOH445 3.1 19.5 1.0
HB3 A:GLN63 3.4 15.4 1.0
O A:HOH599 3.5 39.2 1.0
HB2 A:GLN63 3.5 15.4 1.0
O A:HOH478 3.6 30.2 1.0
HD2 A:TYR64 3.7 20.1 1.0
CB A:GLN63 3.8 12.9 1.0
CA A:ASN62 3.8 9.5 1.0
OD1 A:ASN62 3.9 12.2 1.0
C A:ASN62 4.0 9.2 1.0
CA A:GLN63 4.0 9.1 1.0
H A:TYR64 4.2 12.4 1.0
HH A:TYR123 4.2 21.9 1.0
HE2 A:TYR64 4.2 15.9 1.0
CD2 A:TYR64 4.3 16.7 1.0
HE1 A:TYR123 4.4 17.5 1.0
O A:SER61 4.4 10.3 1.0
O A:HOH592 4.6 38.7 1.0
CE2 A:TYR64 4.6 13.3 1.0
CG A:ASN62 4.6 14.2 1.0
OH A:TYR123 4.7 18.3 1.0
N A:ASN62 4.7 9.5 1.0
N A:TYR64 4.7 10.3 1.0
CB A:ASN62 4.8 9.9 1.0
HA A:GLN63 4.8 10.9 1.0
C A:GLN63 4.9 12.4 1.0
C A:SER61 4.9 10.6 1.0
CE1 A:TYR123 4.9 14.6 1.0

Chlorine binding site 6 out of 6 in 7mzs

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Chlorine binding site 6 out of 6 in the Crystal Structure of the Ucad Lectin-Binding Domain in Complex with Galactose


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 the Ucad Lectin-Binding Domain in Complex with Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:23.7
occ:1.00
HD22 A:ASN33 2.5 22.6 1.0
O A:HOH611 2.9 21.8 1.0
HG21 A:THR36 3.0 11.6 1.0
O A:HOH463 3.0 11.9 1.0
ND2 A:ASN33 3.3 18.8 1.0
HB A:THR58 3.5 15.3 1.0
HG22 A:THR60 3.6 21.3 1.0
HD21 A:ASN33 3.6 22.6 1.0
HB2 A:ASN33 3.7 14.4 1.0
HG23 A:THR36 3.8 11.6 1.0
CG2 A:THR36 3.8 9.6 1.0
O A:HOH508 3.8 26.7 1.0
HG21 A:THR60 4.0 21.3 1.0
HG22 A:THR58 4.0 16.8 1.0
HG23 A:THR60 4.1 21.3 1.0
CG2 A:THR60 4.1 17.8 1.0
HG22 A:THR36 4.2 11.6 1.0
HG21 A:THR58 4.2 16.8 1.0
CB A:THR58 4.3 12.8 1.0
CG A:ASN33 4.4 12.8 1.0
CG2 A:THR58 4.4 14.0 1.0
CB A:ASN33 4.5 12.0 1.0
H A:ASN33 4.5 11.5 1.0
O A:THR58 4.6 11.8 1.0
O A:HOH630 4.8 17.2 1.0
CB A:THR36 5.0 6.9 1.0

Reference:

S.Hancock, A.W.Lo, T.Ve, C.J.Day, L.Tan, A.Mendez, M.Phan, N.Nhu, K.M.Peters, A.Richards, B.A.Fleming, B.M.Forde, T.Haselhorst, K.G.K.Goh, X.Jia, M.Mobli, S.A.Beatson, M.P.Jennings, M.A.Mulvey, B.Kobe, M.A.Schembri. Regulatory and Binding Specificity Features of Escherichia Coli Ucl Fimbriae To Be Published.
Page generated: Sun Jul 13 04:17:49 2025

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