Atomistry » Iodine » PDB 2qqt-2y5e » 2x76
Atomistry »
  Iodine »
    PDB 2qqt-2y5e »
      2x76 »

Iodine in PDB 2x76: The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode

Protein crystallography data

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x76 was solved by S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.45
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 49.630, 140.580, 56.750, 90.00, 90.00, 90.00
R / Rfree (%) n/a / 17.8

Other elements in 2x76:

The structure of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode also contains other interesting chemical elements:

Chlorine (Cl) 6 atoms
Sodium (Na) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode (pdb code 2x76). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode, PDB code: 2x76:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iodine binding site 1 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 1 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1360

b:19.6
occ:1.00
 O A:HOH2103 3.5 19.4 1.0
O A:HOH2107 3.7 27.1 1.0
O A:HOH2102 3.9 20.9 1.0
CA A:LYS40 4.0 5.8 0.5
CA A:LYS40 4.1 5.7 0.5
O A:THR39 4.1 8.4 1.0
CG A:LYS40 4.4 6.6 0.5
N A:LYS40 4.5 5.8 1.0
C A:THR39 4.5 7.1 1.0
CG2 A:THR39 4.5 8.8 1.0
CG A:LYS40 4.7 7.0 0.5
CB A:LYS40 4.7 5.1 0.5
CB A:LYS40 4.8 5.1 0.5
C A:LYS40 5.0 6.4 1.0
N A:THR41 5.0 6.8 1.0

Iodine binding site 2 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 2 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1343

b:21.6
occ:1.00
 NA A:NA1357 1.9 6.1 1.0
OG A:SER35 2.9 22.9 0.5
N A:SER35 3.6 11.2 1.0
N A:GLY20 3.8 8.5 1.0
CB A:SER35 3.9 15.4 0.5
C A:GLY34 3.9 8.9 1.0
CB A:SER35 4.0 13.9 0.5
CA A:GLY34 4.0 9.4 1.0
CA A:GLY20 4.0 8.7 1.0
CA A:SER35 4.2 13.3 0.5
CA A:SER35 4.2 13.1 0.5
O A:HOH2088 4.4 24.9 1.0
CB A:ALA19 4.5 8.4 1.0
O A:GLY34 4.7 11.5 1.0
C A:ALA19 4.9 7.8 1.0
O A:HOH2087 5.0 28.4 1.0

Iodine binding site 3 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 3 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1344

b:25.3
occ:1.00
 O A:HOH2358 2.3 37.7 1.0
O A:HOH2354 3.1 23.6 1.0
O A:HOH2273 3.4 23.2 1.0
CB A:ALA230 3.7 12.7 1.0
CA A:ARG228 3.9 9.5 1.0
N A:ALA230 3.9 9.2 1.0
C A:ARG228 3.9 8.9 1.0
CB A:ARG228 4.0 9.8 1.0
CG2 A:VAL231 4.1 8.6 1.0
N A:THR229 4.2 9.8 1.0
CA A:ALA230 4.3 10.1 1.0
O A:ARG228 4.3 9.0 1.0
CD A:ARG228 4.4 9.3 1.0
CB A:TRP152 4.4 8.7 1.0
N A:VAL231 4.4 7.2 1.0
C A:ALA230 4.6 9.2 1.0
O A:HOH2353 4.7 33.5 1.0
O A:TRP152 4.8 9.0 1.0
CG A:ARG228 4.8 8.6 1.0
O A:HOH2133 4.8 31.5 1.0
C A:TRP152 4.9 7.7 1.0
CG2 A:THR153 4.9 15.6 1.0
O A:HOH2182 4.9 45.8 1.0
O A:HOH2130 4.9 31.1 1.0

Iodine binding site 4 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 4 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1345

b:29.9
occ:1.00
 O A:HOH2022 3.2 34.4 1.0
N A:GLY25 3.5 12.1 1.0
CD A:PRO24 3.9 11.9 1.0
CA A:ALA23 4.0 10.5 1.0
C A:ALA23 4.0 11.8 1.0
CB A:ALA23 4.0 12.5 1.0
N A:PRO24 4.0 9.7 1.0
CA A:GLY25 4.0 15.5 1.0
CE2 A:TYR18 4.3 8.3 1.0
CD2 A:TYR18 4.3 7.0 1.0
CG A:PRO24 4.4 11.8 1.0
O A:ALA23 4.6 17.6 1.0
C A:PRO24 4.6 11.4 1.0
CA A:PRO24 4.9 9.9 1.0
O A:HOH2056 5.0 11.9 1.0

Iodine binding site 5 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 5 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1346

b:43.8
occ:1.00
 O A:HOH2064 3.2 37.4 1.0
N A:GLY27 3.3 11.2 1.0
O A:HOH2030 3.5 26.0 1.0
O A:HOH2111 3.5 18.8 1.0
CA A:VAL26 3.9 10.0 1.0
CG1 A:ILE113 4.0 9.1 1.0
CB A:VAL26 4.1 12.1 1.0
C A:VAL26 4.1 10.4 1.0
CA A:GLY27 4.3 9.4 1.0
CD1 A:ILE113 4.3 10.2 1.0
CG1 A:VAL26 4.5 12.1 1.0
O A:HOH2225 4.5 16.7 1.0
O A:GLY27 4.6 10.9 1.0
C A:GLY27 4.8 8.6 1.0
O A:HOH2069 4.9 28.1 1.0

Iodine binding site 6 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 6 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1347

b:19.8
occ:1.00
 N A:ALA341 3.6 9.0 1.0
CB A:ALA340 3.9 12.6 1.0
CA A:ALA340 4.0 9.4 1.0
C A:ALA340 4.3 9.7 1.0
CB A:ALA341 4.4 12.2 1.0
CA A:ALA341 4.6 10.7 1.0
O A:HOH2460 4.8 12.0 1.0
CD1 A:LEU328 4.9 19.4 1.0

Iodine binding site 7 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 7 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1348

b:29.2
occ:1.00
 O A:HOH2011 2.4 22.8 1.0
ND2 A:ASN6 3.5 10.8 1.0
SG A:CYS3 3.7 8.0 1.0
O A:HOH2007 3.8 47.6 1.0
O A:HOH2015 3.8 11.6 1.0
CB A:CYS3 3.9 6.7 1.0
CA A:THR5 3.9 8.0 1.0
O A:GLY4 4.0 12.8 1.0
C A:THR5 4.0 6.3 1.0
C A:GLY4 4.1 10.0 1.0
N A:THR5 4.1 9.3 1.0
CG A:PRO59 4.2 14.3 1.0
N A:ASN6 4.2 6.6 1.0
CD A:PRO59 4.3 7.3 1.0
N A:GLY4 4.3 7.4 1.0
CG A:ASN6 4.4 8.0 1.0
CB A:ASN6 4.5 8.1 1.0
O A:THR5 4.5 8.2 1.0
O A:HOH2013 4.6 35.3 1.0
C A:CYS3 4.7 7.2 1.0
O A:HOH2124 4.8 17.6 1.0
CA A:GLY4 4.8 9.3 1.0
CA A:CYS3 4.9 5.9 1.0

Iodine binding site 8 out of 8 in 2x76

Go back to Iodine Binding Sites List in 2x76
Iodine binding site 8 out of 8 in the The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of The Crystal Structure of PHAZ7 at Atomic (1.2 Angstrom) Resolution Reveals Details of the Active Site and Suggests A Substrate Binding Mode within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I1359

b:28.5
occ:1.00
 O A:HOH2446 2.7 17.5 1.0
N A:ASP329 4.0 7.2 1.0
CB A:ASP329 4.0 8.0 1.0
CA A:ASP329 4.2 7.1 1.0
OD1 A:ASP329 4.6 12.6 1.0
C A:LEU328 4.6 6.8 1.0
CB A:LEU328 4.7 9.6 1.0
CG A:ASP329 4.8 9.4 1.0

Reference:

S.Wakadkar, S.Hermawan, D.Jendrossek, A.C.Papageorgiou. The Structure of PHAZ7 at Atomic (1.2 A) Resolution Reveals Details of the Active Site and Suggests A Substrate-Binding Mode. Acta Crystallogr. Sect. F V. 66 648 2010STRUCT. Biol. Cryst. Commun..
ISSN: ESSN 1744-3091
PubMed: 20516591
DOI: 10.1107/S174430911001434X
Page generated: Sun Aug 11 14:28:59 2024

Last articles

Cl in 3RP8
Cl in 3ROV
Cl in 3ROH
Cl in 3RNX
Cl in 3ROC
Cl in 3ROA
Cl in 3RO3
Cl in 3RMQ
Cl in 3RO5
Cl in 3RMN
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy