Iodine in PDB 4j8f: Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip

The structure of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip, PDB code: 4j8f was solved by Z.Li, A.Bracher, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	65.596, 65.596, 141.470, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 26.1

The structure of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 17;

Binding sites:

The binding sites of Iodine atom in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip (pdb code 4j8f). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 17 binding sites of Iodine where determined in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip, PDB code: 4j8f:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Iodine binding site 1 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I604 b:51.3 occ:1.00 CD A:ARG272 3.7 35.5 1.0 NE A:ARG272 3.9 35.7 1.0 OE1 A:GLU268 3.9 43.4 1.0 CA A:ARG269 4.0 35.7 1.0 NE A:ARG269 4.1 37.7 1.0 CB A:ARG269 4.2 36.6 1.0 N A:ARG269 4.3 35.1 1.0 CZ A:ARG272 4.4 35.7 1.0 CD A:ARG269 4.5 37.3 1.0 C A:GLU268 4.6 34.6 1.0 NH1 A:ARG272 4.7 34.5 1.0 O A:GLU268 4.7 33.9 1.0 CB A:GLU268 4.9 36.0 1.0 CG A:ARG269 4.9 38.0 1.0

Iodine binding site 2 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I605 b:51.7 occ:1.00 OD1 A:ASN57 3.9 37.0 1.0 CA A:ALA54 4.0 36.7 1.0 OE1 A:GLN33 4.1 44.7 1.0 CB A:ASN57 4.3 38.3 1.0 CB A:ALA54 4.3 36.5 1.0 CG A:ASN57 4.5 37.1 1.0 O A:ALA54 4.8 38.9 1.0 N A:ALA54 4.9 35.8 1.0 NE2 A:GLN33 4.9 47.7 1.0 CD A:GLN33 4.9 45.4 1.0 C A:ALA54 4.9 37.2 1.0

Iodine binding site 3 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I606 b:86.9 occ:1.00 CG A:ARG533 3.8 43.4 1.0 CD A:ARG533 4.1 47.1 1.0 N A:ASP390 4.2 58.8 1.0 O A:GLU388 4.2 59.9 1.0 CA A:ARG533 4.4 42.3 1.0 CA A:ILE389 4.4 56.1 1.0 N A:ARG533 4.4 44.2 1.0 NE A:ARG533 4.5 49.2 1.0 CB A:ARG533 4.7 40.8 1.0 C A:PRO532 4.7 46.9 1.0 CB A:ASP390 4.7 62.7 1.0 CG2 A:ILE389 4.7 52.3 1.0 CD1 A:ILE389 4.7 52.8 1.0 O A:PRO532 4.8 47.6 1.0 C A:ILE389 4.9 57.1 1.0 CB A:PRO532 4.9 53.0 1.0

Iodine binding site 4 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I607 b:82.0 occ:1.00 CA A:ALA60 4.0 50.8 1.0 CG A:ARG261 4.3 54.2 1.0 CB A:PRO63 4.3 53.4 1.0 N A:ALA60 4.4 47.7 1.0 CG2 A:VAL59 4.4 42.0 1.0 O A:VAL59 4.4 47.8 1.0 C A:VAL59 4.5 46.2 1.0 CG1 A:VAL59 4.6 42.2 1.0 CB A:ALA60 4.8 51.3 1.0 NE A:ARG261 5.0 56.3 1.0 C A:ALA60 5.0 53.5 1.0 CB A:LYS257 5.0 71.6 1.0

Iodine binding site 5 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I608 b:93.2 occ:1.00 O A:LYS328 3.8 87.3 1.0 CA A:ALA329 3.8 98.6 1.0 C A:LYS328 3.8 90.4 1.0 N A:ALA329 3.8 95.8 1.0 NH2 A:ARG357 3.9 94.3 1.0 O A:PHE354 3.9 92.3 1.0 CD1 A:PHE354 4.1 78.9 1.0 CB A:LYS328 4.1 89.2 1.0 CA A:PHE354 4.1 85.9 1.0 C A:PHE354 4.1 90.8 1.0 ND2 A:ASN355 4.2 0.5 1.0 CB A:ALA329 4.5 0.2 1.0 NE A:ARG357 4.5 97.9 1.0 CB A:PHE354 4.5 81.6 1.0 CA A:LYS328 4.6 88.7 1.0 CZ A:ARG357 4.7 95.0 1.0 CG A:PHE354 4.7 77.9 1.0 CE1 A:PHE354 4.9 76.0 1.0 O A:PHE353 4.9 88.7 1.0 C A:ALA329 5.0 97.2 1.0 N A:ASN355 5.0 93.7 1.0

Iodine binding site 6 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I609 b:84.7 occ:1.00 NH2 A:ARG548 3.5 90.0 1.0 O A:HOH738 3.8 55.1 1.0 NE2 A:GLN376 3.8 45.2 1.0 CD A:ARG171 4.0 51.1 1.0 CG A:ARG171 4.2 44.8 1.0 NH1 A:ARG171 4.3 61.4 1.0 CD2 A:LEU380 4.3 37.2 1.0 NE A:ARG171 4.4 55.2 1.0 CG A:GLU545 4.4 62.6 1.0 CG A:GLN376 4.4 40.2 1.0 CD A:GLN376 4.5 43.3 1.0 CZ A:ARG171 4.5 59.4 1.0 CE2 A:TYR544 4.6 64.3 1.0 CD A:ARG548 4.6 89.9 1.0 CZ A:ARG548 4.7 94.6 1.0 CD1 A:LEU380 4.8 31.6 1.0 CG A:LEU380 4.9 35.6 1.0

Iodine binding site 7 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 7 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I610 b:77.9 occ:0.60 N A:ILE172 3.6 38.2 1.0 CA A:ARG171 4.1 38.7 1.0 I A:IOD611 4.2 76.4 0.6 CD A:ARG171 4.3 51.1 1.0 CB A:ILE172 4.3 38.2 1.0 NE A:ARG171 4.3 55.2 1.0 C A:ARG171 4.4 37.5 1.0 CG1 A:ILE172 4.4 37.2 1.0 O A:ILE172 4.4 39.3 1.0 CA A:ILE172 4.5 37.0 1.0 CG A:ARG171 4.6 44.8 1.0 O A:LEU170 4.7 39.6 1.0 CB A:ARG171 4.8 39.8 1.0 C A:ILE172 5.0 38.2 1.0 CZ A:ARG171 5.0 59.4 1.0

Iodine binding site 8 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 8 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I611 b:76.4 occ:0.60 N A:GLN156 4.0 49.5 1.0 CB A:ARG155 4.0 49.1 1.0 C A:ARG155 4.1 47.5 1.0 CG1 A:ILE172 4.2 37.2 1.0 CA A:GLN156 4.2 49.8 1.0 I A:IOD610 4.2 77.9 0.6 O A:ARG155 4.3 45.7 1.0 CD A:LYS159 4.5 48.3 1.0 CB A:LYS159 4.5 42.5 1.0 CB A:ILE172 4.6 38.2 1.0 CA A:ARG155 4.7 47.7 1.0 OE1 A:GLN156 4.8 58.0 1.0 CG A:ARG155 4.9 48.9 1.0 CB A:GLN156 4.9 53.0 1.0

Iodine binding site 9 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 9 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I612 b:70.9 occ:0.40 CZ A:PHE114 3.5 48.5 1.0 I A:IOD613 3.5 71.9 0.4 CD A:LYS112 3.6 66.5 1.0 CE1 A:PHE114 3.8 47.2 1.0 CE2 A:TYR107 4.3 55.7 1.0 CE A:LYS112 4.3 70.0 1.0 CD2 A:TYR107 4.4 56.4 1.0 CG A:LYS112 4.7 65.3 1.0 CE2 A:PHE114 4.7 48.8 1.0 CB A:LYS112 4.7 62.2 1.0

Iodine binding site 10 out of 17 in the Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 10 of Crystal Structure of A Fusion Protein Containing the Nbd of HSP70 and the Middle Domain of Hip within 5.0Å range: probe atom residue distance (Å) B Occ A:I613 b:71.9 occ:0.40 NH1 A:ARG49 3.3 56.8 1.0 I A:IOD612 3.5 70.9 0.4 CE2 A:TYR107 4.2 55.7 1.0 CD A:ARG49 4.3 51.4 1.0 CZ A:PHE114 4.3 48.5 1.0 CZ A:ARG49 4.3 54.8 1.0 CE1 A:PHE114 4.3 47.2 1.0 OH A:TYR107 4.6 54.5 1.0 NE A:ARG49 4.7 52.8 1.0 CE A:MET122 4.8 46.6 1.0 CZ A:TYR107 4.8 54.7 1.0

Z.Li, F.U.Hartl, A.Bracher. Structure and Function of Hip, An Attenuator of the HSP70 Chaperone Cycle. Nat.Struct.Mol.Biol. V. 20 929 2013.
ISSN: ISSN 1545-9993
PubMed: 23812373
DOI: 10.1038/NSMB.2608