Atomistry » Zinc » PDB 1sxc-1tbo » 1t4k
Atomistry »
  Zinc »
    PDB 1sxc-1tbo »
      1t4k »

Zinc in PDB 1t4k: Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab

Protein crystallography data

The structure of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab, PDB code: 1t4k was solved by X.Zhu, I.A.Wilson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.701, 81.228, 149.496, 90.00, 90.00, 90.00
R / Rfree (%) 23.3 / 28.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab (pdb code 1t4k). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab, PDB code: 1t4k:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 1 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn304

b:58.1
occ:0.79
OE2 A:GLU185 2.1 37.9 1.0
NE2 A:HIS189 2.4 39.1 1.0
O D:HOH309 2.6 32.8 1.0
CD A:GLU185 2.7 44.4 1.0
OE1 A:GLU185 2.8 48.1 1.0
CE1 A:HIS189 3.2 37.4 1.0
O D:HOH318 3.4 33.5 1.0
CD2 A:HIS189 3.5 36.0 1.0
OG D:SER168 3.8 40.8 1.0
CB D:SER168 4.2 34.7 1.0
CG A:GLU185 4.2 37.9 1.0
NH2 A:ARG155 4.4 61.3 1.0
ND1 A:HIS189 4.4 36.6 1.0
CD D:PRO194 4.6 32.4 1.0
CG A:HIS189 4.6 36.2 1.0
O D:THR192 4.8 31.6 1.0
O D:SER168 4.9 28.6 1.0
CG D:PRO194 4.9 35.9 1.0

Zinc binding site 2 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 2 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn305

b:64.9
occ:0.41
NE2 B:HIS172 2.4 48.4 1.0
OD1 A:ASN138 2.4 46.7 1.0
CE1 B:HIS172 3.0 49.3 1.0
OD2 A:ASP167 3.1 57.9 1.0
CD2 B:HIS172 3.6 46.3 1.0
OD2 A:ASP170 3.6 65.1 1.0
CG A:ASN138 3.6 41.2 1.0
CG A:ASP167 4.0 56.8 1.0
ND1 B:HIS172 4.3 49.4 1.0
ND2 A:ASN138 4.4 47.8 1.0
CB A:ASP167 4.4 53.3 1.0
OG1 A:THR172 4.5 27.5 1.0
O A:HOH333 4.5 34.6 1.0
CG A:ASP170 4.5 60.6 1.0
CG B:HIS172 4.5 45.2 1.0
OG A:SER174 4.6 35.8 1.0
CB A:ASN138 4.7 39.2 1.0
OD1 A:ASP170 4.7 63.3 1.0
OD1 A:ASP167 4.9 60.1 1.0
CA A:ASN138 5.0 38.1 1.0

Zinc binding site 3 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 3 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn303

b:61.9
occ:0.75
OD2 B:ASP54 1.8 30.9 1.0
O B:HOH381 2.5 38.9 1.0
CG B:ASP54 2.9 41.2 1.0
OD1 B:ASP54 3.4 41.2 1.0
OG B:SER56 4.0 43.3 1.0
CB B:ASP54 4.1 38.0 1.0
CB B:SER56 4.4 40.0 1.0

Zinc binding site 4 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 4 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn308

b:50.7
occ:1.00
NE2 B:HIS83 2.1 42.0 1.0
O B:HOH336 2.4 29.9 1.0
CD2 B:HIS83 2.9 37.7 1.0
CE1 B:HIS83 3.1 40.5 1.0
O B:PHE65 4.0 54.4 1.0
CG B:HIS83 4.1 35.5 1.0
OG B:SER83A 4.1 42.7 1.0
ND1 B:HIS83 4.2 37.2 1.0
C B:PHE65 4.9 53.3 1.0

Zinc binding site 5 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 5 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn309

b:54.7
occ:0.79
OD2 B:ASP72 2.2 54.0 1.0
OD1 B:ASP72 2.6 49.6 1.0
CG B:ASP72 2.8 49.8 1.0
CB B:SER74 3.5 56.4 1.0
OG B:SER74 3.8 62.2 1.0
CB B:ASP72 4.3 48.0 1.0
CG B:LYS75 4.4 49.8 1.0
CE B:LYS75 4.4 56.7 1.0
CD B:LYS75 4.4 52.8 1.0
N B:LYS75 4.7 53.5 1.0
CA B:SER74 4.7 55.5 1.0
N B:SER74 4.9 53.3 1.0

Zinc binding site 6 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 6 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn301

b:61.9
occ:0.51
ND2 C:ASN138 2.2 41.4 1.0
O D:HOH379 2.3 51.9 1.0
NE2 D:HIS172 2.4 45.8 1.0
CE1 D:HIS172 3.0 45.2 1.0
OD2 C:ASP167 3.2 65.0 1.0
CG C:ASN138 3.3 39.4 1.0
CD2 D:HIS172 3.5 42.8 1.0
OD1 C:ASN138 3.6 46.2 1.0
OD2 C:ASP170 3.8 66.0 1.0
OG C:SER174 4.2 37.2 1.0
OG1 C:THR172 4.2 38.6 1.0
CG C:ASP167 4.2 63.4 1.0
ND1 D:HIS172 4.2 43.2 1.0
CG D:HIS172 4.5 41.8 1.0
CB C:ASN138 4.5 37.9 1.0
CB C:ASP167 4.5 60.3 1.0
CG C:ASP170 4.7 64.5 1.0
OD1 C:ASP170 4.8 62.6 1.0
CA C:ASN138 4.9 39.9 1.0
N C:ASN138 5.0 38.1 1.0

Zinc binding site 7 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 7 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn302

b:69.1
occ:0.42
ND1 C:HIS189 2.4 76.0 1.0
OD2 C:ASP151 2.6 55.4 1.0
CE1 C:HIS189 2.8 77.2 1.0
CB C:ASP151 3.0 62.3 1.0
CG C:ASP151 3.2 60.3 1.0
CG C:HIS189 3.7 75.7 1.0
NE2 C:HIS189 4.1 75.4 1.0
O C:ILE150 4.1 70.5 1.0
CB C:HIS189 4.4 73.4 1.0
CA C:ASP151 4.4 65.1 1.0
OD1 C:ASP151 4.5 55.6 1.0
CD2 C:HIS189 4.5 74.6 1.0
O C:ASP151 4.7 67.8 1.0
C C:ILE150 4.8 68.0 1.0
CA C:HIS189 4.9 72.6 1.0
N C:ASP151 5.0 66.9 1.0
C C:ASP151 5.0 66.3 1.0

Zinc binding site 8 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 8 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn306

b:66.0
occ:0.38
OE2 C:GLU185 2.3 87.7 1.0
CD C:GLU185 2.9 86.0 1.0
OE1 C:GLU185 3.1 90.4 1.0
NH2 C:ARG155 3.4 76.3 1.0
NE2 C:HIS189 3.4 75.4 1.0
NH2 C:ARG188 4.0 80.5 1.0
CG C:GLU185 4.0 81.5 1.0
CZ C:ARG155 4.1 78.0 1.0
CE1 C:HIS189 4.1 77.2 1.0
NH1 C:ARG155 4.5 77.4 1.0
CD2 C:HIS189 4.6 74.6 1.0
NE C:ARG155 4.8 79.1 1.0
CZ C:ARG188 5.0 79.0 1.0

Zinc binding site 9 out of 9 in 1t4k

Go back to Zinc Binding Sites List in 1t4k
Zinc binding site 9 out of 9 in the Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn307

b:65.1
occ:0.47
OE1 D:GLU204 2.4 66.6 1.0
OE1 A:GLU187 3.4 57.0 1.0
CD D:GLU204 3.5 66.4 1.0
OE2 D:GLU204 3.9 70.5 1.0
NZ A:LYS183 3.9 60.9 1.0
CD A:GLU187 4.5 54.3 1.0
CG D:GLU204 4.7 61.2 1.0

Reference:

X.Zhu, F.Tanaka, Y.Hu, A.Heine, R.Fuller, G.Zhong, A.J.Olson, R.A.Lerner, C.F.Barbas, I.A.Wilson. The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-Directed Mutagenesis, and Computational Analysis J.Mol.Biol. V. 343 1269 2004.
ISSN: ISSN 0022-2836
PubMed: 15491612
DOI: 10.1016/J.JMB.2004.08.102
Page generated: Wed Oct 16 19:01:03 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy