Atomistry » Iodine » PDB 1q0t-1v1f » 1qk0
Atomistry »
  Iodine »
    PDB 1q0t-1v1f »
      1qk0 »

Iodine in PDB 1qk0: CEL6A with A Non-Hydrolysable Cellotetraose

Enzymatic activity of CEL6A with A Non-Hydrolysable Cellotetraose

All present enzymatic activity of CEL6A with A Non-Hydrolysable Cellotetraose:
3.2.1.91;

Protein crystallography data

The structure of CEL6A with A Non-Hydrolysable Cellotetraose, PDB code: 1qk0 was solved by J.-Y.Zou, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.10
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 48.500, 74.690, 91.140, 90.00, 103.19, 90.00
R / Rfree (%) 18.1 / 22.1

Other elements in 1qk0:

The structure of CEL6A with A Non-Hydrolysable Cellotetraose also contains other interesting chemical elements:

Cobalt (Co) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the CEL6A with A Non-Hydrolysable Cellotetraose (pdb code 1qk0). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the CEL6A with A Non-Hydrolysable Cellotetraose, PDB code: 1qk0:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in 1qk0

Go back to Iodine Binding Sites List in 1qk0
Iodine binding site 1 out of 3 in the CEL6A with A Non-Hydrolysable Cellotetraose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of CEL6A with A Non-Hydrolysable Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I901

b:24.5
occ:1.00
I A:IOB901 0.0 24.5 1.0
CE1 A:IOB901 2.1 22.4 1.0
CZ A:IOB901 3.1 22.1 1.0
CD1 A:IOB901 3.1 21.8 1.0
O A:ALA180 3.4 19.2 1.0
CB A:ALA178 3.5 17.7 1.0
O A:HOH2063 3.6 24.3 1.0
O A:HOH2223 3.7 15.1 1.0
O A:HOH2058 4.1 8.1 1.0
CA A:SER181 4.1 18.6 1.0
CB A:ASP175 4.2 13.1 1.0
C A:ALA180 4.4 19.3 1.0
CG A:ASP175 4.4 13.7 1.0
CE2 A:IOB901 4.4 22.2 1.0
O A:HOH2065 4.4 23.2 1.0
CG A:IOB901 4.4 21.8 1.0
O A:HOH2231 4.5 14.2 1.0
OD2 A:ASP175 4.6 14.2 1.0
O A:HOH2066 4.6 12.1 1.0
N A:SER181 4.7 18.9 1.0
CB A:SER181 4.8 18.6 1.0
OD1 A:ASP175 4.9 12.8 1.0
N A:ASN182 4.9 18.1 1.0
CD2 A:IOB901 4.9 21.7 1.0
CA A:ALA178 5.0 18.1 1.0
OG A:SER181 5.0 18.4 1.0

Iodine binding site 2 out of 3 in 1qk0

Go back to Iodine Binding Sites List in 1qk0
Iodine binding site 2 out of 3 in the CEL6A with A Non-Hydrolysable Cellotetraose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of CEL6A with A Non-Hydrolysable Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I899

b:46.2
occ:1.00
O B:ALA180 3.0 19.3 1.0
O B:HOH2190 3.3 24.1 1.0
CB B:ALA178 3.6 17.4 1.0
CB B:IOB901 3.6 30.4 1.0
O B:HOH2198 3.6 26.9 1.0
CG B:ASP175 3.8 14.6 1.0
CB B:ASP175 3.9 14.1 1.0
OD2 B:ASP175 3.9 14.2 1.0
O B:HOH2046 4.0 14.2 1.0
C B:ALA180 4.1 19.0 1.0
OD1 B:ASP175 4.2 14.6 1.0
CD1 B:IOB901 4.3 32.4 1.0
CA B:SER181 4.3 18.5 1.0
O B:IOB901 4.4 28.0 1.0
CG B:IOB901 4.5 31.2 1.0
O B:HOH2236 4.5 7.7 1.0
CH2 B:TRP367 4.7 15.3 1.0
OD2 B:ASP412 4.7 20.7 1.0
N B:SER181 4.7 18.7 1.0
CB B:SER181 4.8 18.4 1.0
OD2 B:ASP221 4.9 14.6 1.0
C5 B:XYS902 4.9 23.5 1.0
OH B:TYR169 4.9 11.3 1.0
O5 B:XYS902 5.0 25.0 1.0

Iodine binding site 3 out of 3 in 1qk0

Go back to Iodine Binding Sites List in 1qk0
Iodine binding site 3 out of 3 in the CEL6A with A Non-Hydrolysable Cellotetraose


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of CEL6A with A Non-Hydrolysable Cellotetraose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:I901

b:34.2
occ:1.00
I B:IOB901 0.0 34.2 1.0
CE1 B:IOB901 2.1 33.0 1.0
CD1 B:IOB901 3.1 32.4 1.0
CZ B:IOB901 3.1 32.5 1.0
O B:HOH2197 3.6 22.2 1.0
NE1 B:TRP367 3.7 15.4 1.0
CA B:ALA178 4.0 17.7 1.0
CE2 B:TRP367 4.3 15.5 1.0
CB B:ALA178 4.3 17.4 1.0
CD1 B:TRP367 4.3 15.6 1.0
O B:ALA177 4.3 16.8 1.0
N B:ALA178 4.4 17.4 1.0
CE2 B:IOB901 4.4 31.6 1.0
CG B:IOB901 4.4 31.2 1.0
CE1 B:HIS414 4.5 20.1 1.0
C B:ALA177 4.5 16.6 1.0
O B:HOH2049 4.5 7.8 1.0
NE2 B:HIS414 4.6 19.9 1.0
CZ2 B:TRP367 4.6 15.5 1.0
O B:HOH2170 4.7 23.3 1.0
ND1 B:HIS414 4.8 20.1 1.0
CD2 B:IOB901 5.0 31.2 1.0

Reference:

J.-Y.Zou, G.J.Kleywegt, J.Stahlberg, H.Driguez, W.Nerinckx, M.Claeyssens, A.Koivula, T.T.Teeri, T.A.Jones. Crystallographic Evidence For Substrate Ring Distortion and Protein Conformational Changes During Catalysis in Cellobiohydrolase CEL6A From Trichoderma Reesei Structure V. 7 1035 1999.
ISSN: ISSN 0969-2126
PubMed: 10508787
DOI: 10.1016/S0969-2126(99)80171-3
Page generated: Sun Aug 11 12:45:42 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy