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Chlorine in PDB 3ipb: Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).

Protein crystallography data

The structure of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker)., PDB code: 3ipb was solved by S.E.Kolstoe, S.P.Wood, M.B.Pepys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.00 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 42.958, 84.681, 62.769, 90.00, 90.00, 90.00
R / Rfree (%) 20.1 / 22.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). (pdb code 3ipb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker)., PDB code: 3ipb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 3ipb

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Chlorine binding site 1 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:57.0
occ:0.25
CLAE A:JZD128 0.0 57.0 0.2
OAA B:JZD129 0.7 35.0 0.2
CBN A:JZD128 1.7 53.5 0.2
CBJ B:JZD129 1.8 35.6 0.2
OAC B:JZD129 2.6 36.9 0.2
CAQ A:JZD128 2.7 53.7 0.2
CBV A:JZD128 2.7 51.9 0.2
NBF B:JZD129 2.8 34.3 0.2
CBD A:JZD128 2.9 47.9 0.2
CBT B:JZD129 3.0 33.8 0.2
OBH A:JZD128 3.0 48.4 0.2
CD1 B:LEU17 3.3 13.8 1.0
CBR B:JZD129 3.3 33.4 0.2
CBB A:JZD128 3.8 46.7 0.2
CBL B:JZD129 4.0 34.1 0.2
CBL A:JZD128 4.0 51.8 0.2
CBO A:JZD128 4.0 51.7 0.2
CAO B:JZD129 4.2 32.9 0.2
CAQ B:JZD129 4.3 33.8 0.2
CG B:LEU17 4.4 10.6 1.0
CAR A:JZD128 4.5 52.4 0.2
CD2 B:LEU17 4.7 13.9 1.0
CE B:LYS15 4.7 29.8 1.0
CAM B:JZD129 4.7 32.7 0.2

Chlorine binding site 2 out of 8 in 3ipb

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Chlorine binding site 2 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:50.0
occ:0.25
CLAF A:JZD128 0.0 50.0 0.2
CAK B:JZD129 0.5 33.3 0.2
CAO B:JZD129 1.4 32.9 0.2
CBO A:JZD128 1.7 51.7 0.2
CAI B:JZD129 1.9 33.2 0.2
CAR A:JZD128 2.6 52.4 0.2
CBT B:JZD129 2.6 33.8 0.2
CBV A:JZD128 2.8 51.9 0.2
CAM B:JZD129 2.9 32.7 0.2
CBR B:JZD129 3.2 33.4 0.2
OBH A:JZD128 3.2 48.4 0.2
CG2 B:VAL121 3.9 15.2 1.0
CBL A:JZD128 3.9 51.8 0.2
CBJ B:JZD129 3.9 35.6 0.2
CBN A:JZD128 4.1 53.5 0.2
OAC B:JZD129 4.1 36.9 0.2
CG2 B:THR106 4.2 13.1 1.0
CB B:ALA108 4.4 11.1 1.0
CAQ A:JZD128 4.5 53.7 0.2
CBD A:JZD128 4.5 47.9 0.2
NBF B:JZD129 4.6 34.3 0.2
CB B:VAL121 4.6 12.1 1.0
NBF A:JZD128 4.9 51.3 0.2
CB B:THR106 4.9 12.9 1.0
OAA B:JZD129 4.9 35.0 0.2
CAM A:JZD128 4.9 49.6 0.2

Chlorine binding site 3 out of 8 in 3ipb

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Chlorine binding site 3 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:31.9
occ:0.25
CLAG A:JZD128 0.0 31.9 0.2
CBP A:JZD128 1.8 34.5 0.2
CAY B:JZD129 2.6 41.1 0.2
CAS A:JZD128 2.7 37.1 0.2
CBW A:JZD128 2.8 34.1 0.2
OBI A:JZD128 3.2 32.8 0.2
CAU B:JZD129 3.2 36.8 0.2
CAW B:JZD129 3.5 38.6 0.2
CBE A:JZD128 3.5 34.0 0.2
CBA B:JZD129 3.8 43.3 0.2
CBC B:JZD129 4.0 45.1 0.2
CBM A:JZD128 4.1 38.9 0.2
CBQ A:JZD128 4.1 33.8 0.2
CD2 A:LEU110 4.5 18.2 1.0
CAT A:JZD128 4.6 36.0 0.2
CAV B:JZD129 4.6 34.3 0.2
CBC A:JZD128 4.7 33.0 0.2

Chlorine binding site 4 out of 8 in 3ipb

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Chlorine binding site 4 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl128

b:31.0
occ:0.25
CLAH A:JZD128 0.0 31.0 0.2
CBQ A:JZD128 1.8 33.8 0.2
CAW B:JZD129 2.3 38.6 0.2
CAT A:JZD128 2.7 36.0 0.2
CBW A:JZD128 2.8 34.1 0.2
CBA B:JZD129 3.0 43.3 0.2
OBI A:JZD128 3.0 32.8 0.2
OG A:SER117 3.0 16.6 0.5
CAY B:JZD129 3.1 41.1 0.2
OG1 A:THR119 3.2 19.9 1.0
OG A:SER117 3.4 18.7 0.5
O A:SER117 3.5 12.7 0.5
O A:SER117 3.6 12.6 0.5
CAU B:JZD129 3.7 36.8 0.2
C A:SER117 3.7 13.9 0.5
C A:SER117 3.7 13.8 0.5
N A:THR119 3.8 13.2 1.0
CA A:THR118 3.9 12.3 1.0
N A:THR118 3.9 12.8 1.0
CB A:SER117 4.0 15.3 0.5
O A:ALA108 4.0 13.7 1.0
C A:THR118 4.0 12.7 1.0
CBE A:JZD128 4.0 34.0 0.2
CB A:SER117 4.0 14.7 0.5
CBM A:JZD128 4.1 38.9 0.2
CB A:THR119 4.1 12.9 1.0
CBP A:JZD128 4.1 34.5 0.2
N A:LEU110 4.1 11.9 1.0
CB A:LEU110 4.1 11.1 1.0
CAV B:JZD129 4.2 34.3 0.2
C A:ALA108 4.3 11.9 1.0
CA A:ALA109 4.3 10.9 1.0
C A:ALA109 4.3 12.3 1.0
CBC B:JZD129 4.4 45.1 0.2
CA A:SER117 4.5 15.4 0.5
CB A:ALA108 4.5 10.8 1.0
CA A:SER117 4.5 15.0 0.5
N A:ALA109 4.5 12.3 1.0
CAS A:JZD128 4.5 37.1 0.2
CA A:THR119 4.6 12.6 1.0
O A:THR118 4.7 12.8 1.0
CBC A:JZD128 4.7 33.0 0.2
CA A:LEU110 4.7 11.6 1.0

Chlorine binding site 5 out of 8 in 3ipb

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Chlorine binding site 5 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl129

b:35.4
occ:0.25
CLAE B:JZD129 0.0 35.4 0.2
CBN B:JZD129 1.7 34.0 0.2
CAX A:JZD128 2.5 43.3 0.2
CAQ B:JZD129 2.7 33.8 0.2
CBV B:JZD129 2.8 33.0 0.2
CAU A:JZD128 3.3 40.0 0.2
OBH B:JZD129 3.3 32.0 0.2
CAV A:JZD128 3.4 40.9 0.2
CBD B:JZD129 3.5 30.2 0.2
CAZ A:JZD128 3.7 44.8 0.2
CBB A:JZD128 3.9 46.7 0.2
CBL B:JZD129 4.0 34.1 0.2
CBO B:JZD129 4.1 32.1 0.2
CD2 B:LEU110 4.2 18.6 1.0
CAW A:JZD128 4.5 35.5 0.2
CAR B:JZD129 4.5 32.7 0.2
CBB B:JZD129 4.7 25.1 0.2

Chlorine binding site 6 out of 8 in 3ipb

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Chlorine binding site 6 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl129

b:28.0
occ:0.25
CLAF B:JZD129 0.0 28.0 0.2
CBO B:JZD129 1.8 32.1 0.2
CAV A:JZD128 2.5 40.9 0.2
CAR B:JZD129 2.7 32.7 0.2
CBV B:JZD129 2.8 33.0 0.2
OG1 B:THR119 2.9 22.7 1.0
OBH B:JZD129 2.9 32.0 0.2
CAZ A:JZD128 3.0 44.8 0.2
CAX A:JZD128 3.2 43.3 0.2
OG B:SER117 3.2 21.3 1.0
N B:THR119 3.5 15.2 1.0
O B:SER117 3.6 15.3 1.0
C B:THR118 3.6 12.7 1.0
CB B:THR119 3.7 15.8 1.0
C B:SER117 3.7 14.4 1.0
CA B:THR118 3.7 12.3 1.0
O B:ALA108 3.8 13.5 1.0
N B:THR118 3.9 11.2 1.0
CAU A:JZD128 3.9 40.0 0.2
CBL B:JZD129 4.1 34.1 0.2
CBN B:JZD129 4.1 34.0 0.2
CB B:SER117 4.1 16.9 1.0
CBD B:JZD129 4.2 30.2 0.2
CA B:THR119 4.2 12.7 1.0
C B:ALA108 4.2 11.8 1.0
N B:LEU110 4.3 11.8 1.0
O B:THR118 4.3 15.8 1.0
CBB A:JZD128 4.3 46.7 0.2
CB B:LEU110 4.4 10.9 1.0
CAW A:JZD128 4.4 35.5 0.2
CA B:ALA109 4.4 10.6 1.0
CB B:ALA108 4.5 11.1 1.0
CA B:SER117 4.5 15.1 1.0
CAQ B:JZD129 4.5 33.8 0.2
C B:ALA109 4.6 10.8 1.0
N B:ALA109 4.6 10.7 1.0
OG A:SER115 4.9 20.8 1.0
CBB B:JZD129 4.9 25.1 0.2
CA B:LEU110 5.0 10.2 1.0
CA B:ALA108 5.0 11.9 1.0
CAM B:JZD129 5.0 32.7 0.2

Chlorine binding site 7 out of 8 in 3ipb

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Chlorine binding site 7 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl129

b:52.6
occ:0.25
CLAG B:JZD129 0.0 52.6 0.2
OAD A:JZD128 1.1 51.5 0.2
CBK A:JZD128 1.5 49.2 0.2
CBP B:JZD129 1.7 50.6 0.2
OAB A:JZD128 1.9 50.5 0.2
CAS B:JZD129 2.6 49.5 0.2
CBW B:JZD129 2.8 49.2 0.2
CBU A:JZD128 3.0 46.9 0.2
OBI B:JZD129 3.1 48.6 0.2
NBG A:JZD128 3.6 42.6 0.2
CBS A:JZD128 3.7 46.0 0.2
CBE B:JZD129 3.9 47.4 0.2
CD1 A:LEU17 3.9 11.6 1.0
CAP A:JZD128 3.9 47.3 0.2
CBM B:JZD129 3.9 49.0 0.2
CBQ B:JZD129 4.1 49.9 0.2
OAD B:JZD129 4.4 41.2 0.2
CAT B:JZD129 4.5 49.7 0.2
OAB B:JZD129 4.6 40.8 0.2
CBK B:JZD129 4.7 41.2 0.2
CBC B:JZD129 4.7 45.1 0.2
CBM A:JZD128 4.8 38.9 0.2
CG A:LEU17 5.0 8.0 1.0
NBG B:JZD129 5.0 46.8 0.2

Chlorine binding site 8 out of 8 in 3ipb

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Chlorine binding site 8 out of 8 in the Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Human Transthyretin (Ttr) Complexed with A Palindromic Bivalent Amyloid Inhibitor (11 Carbon Linker). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl129

b:51.6
occ:0.25
CLAH B:JZD129 0.0 51.6 0.2
CAL A:JZD128 0.7 48.2 0.2
CAJ A:JZD128 1.4 48.1 0.2
CBQ B:JZD129 1.7 49.9 0.2
CAP A:JZD128 1.9 47.3 0.2
CAN A:JZD128 2.6 46.8 0.2
CAT B:JZD129 2.6 49.7 0.2
CBW B:JZD129 2.8 49.2 0.2
CBU A:JZD128 2.9 46.9 0.2
CBS A:JZD128 3.2 46.0 0.2
OBI B:JZD129 3.2 48.6 0.2
CBE B:JZD129 3.8 47.4 0.2
CBM B:JZD129 4.0 49.0 0.2
CBP B:JZD129 4.1 50.6 0.2
CBK A:JZD128 4.3 49.2 0.2
CG2 A:VAL121 4.4 15.2 1.0
NBG A:JZD128 4.5 42.6 0.2
CAS B:JZD129 4.5 49.5 0.2
CB A:ALA108 4.7 10.8 1.0
OAB A:JZD128 4.7 50.5 0.2
CG2 A:THR106 4.9 16.8 1.0
NBG B:JZD129 5.0 46.8 0.2

Reference:

S.E.Kolstoe, P.P.Mangione, V.Bellotti, G.W.Taylor, G.A.Tennent, S.Deroo, A.J.Morrison, A.J.Cobb, A.Coyne, M.G.Mccammon, T.D.Warner, J.Mitchell, R.Gill, M.D.Smith, S.V.Ley, C.V.Robinson, S.P.Wood, M.B.Pepys. Trapping of Palindromic Ligands Within Native Transthyretin Prevents Amyloid Formation. Proc.Natl.Acad.Sci.Usa V. 107 20483 2010.
ISSN: ISSN 0027-8424
PubMed: 21059958
DOI: 10.1073/PNAS.1008255107
Page generated: Fri Jul 11 06:29:50 2025

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