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Bromine in PDB 8cir: The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display

Protein crystallography data

The structure of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display, PDB code: 8cir was solved by W.J.Bradshaw, V.L.Katis, T.M.Leisner, M.Fairhead, C.Bountra, F.Von Delft, K.H.Pearce, P.E.Brennan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 77.70 / 1.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.466, 155.391, 63.607, 90, 94.28, 90
R / Rfree (%) 17.8 / 24.1

Bromine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 15;

Binding sites:

The binding sites of Bromine atom in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display (pdb code 8cir). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 15 binding sites of Bromine where determined in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display, PDB code: 8cir:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 15 in 8cir

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Bromine binding site 1 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br401

b:27.6
occ:0.85
O A:HOH578 3.2 22.5 1.0
NH1 A:ARG279 3.6 35.3 1.0
CD1 A:TRP58 3.8 19.0 1.0
CB A:ARG279 4.1 23.6 1.0
CD A:ARG279 4.1 34.4 1.0
NE1 A:TRP58 4.1 19.6 1.0
O A:HOH765 4.1 30.8 1.0
O A:HOH808 4.2 42.7 1.0
CG A:ARG279 4.3 30.7 1.0
CZ A:PHE206 4.4 20.7 1.0
CE2 A:PHE206 4.5 21.3 1.0
O A:HOH708 4.5 22.5 1.0
CZ A:ARG279 4.6 35.8 1.0
O A:ARG279 4.6 20.2 1.0
NE A:ARG279 4.7 45.9 1.0
CA A:ARG279 4.8 20.9 1.0
CD2 A:LEU283 4.8 23.2 1.0
C A:ARG279 4.9 19.0 1.0

Bromine binding site 2 out of 15 in 8cir

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Bromine binding site 2 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:27.5
occ:0.75
N A:ASP252 3.3 25.7 1.0
O A:HOH666 3.3 25.4 1.0
CA A:ASN251 3.9 24.3 1.0
CE1 A:PHE250 3.9 26.9 1.0
CD1 A:PHE250 4.0 26.5 1.0
C A:ASN251 4.0 23.7 1.0
CD1 A:LEU274 4.1 24.0 1.0
CA A:ASP252 4.2 25.2 1.0
O A:PHE250 4.3 23.9 1.0
CD2 A:LEU274 4.4 30.1 1.0
OD1 A:ASN251 4.4 37.1 1.0
N A:ASN251 4.6 23.8 1.0
CG A:ASN251 4.7 36.8 1.0
C A:PHE250 4.8 23.5 1.0
CG A:LEU274 4.9 23.6 1.0
CB A:ASN251 4.9 27.3 1.0
CB A:ASP252 5.0 30.5 1.0

Bromine binding site 3 out of 15 in 8cir

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Bromine binding site 3 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br403

b:21.2
occ:0.75
O6 A:B3P413 3.0 24.9 1.0
OH A:TYR85 3.1 22.7 1.0
O A:HOH629 3.5 17.1 1.0
NE2 A:GLN105 3.6 17.2 1.0
CG A:GLN105 3.7 18.9 1.0
O A:GLN105 3.8 18.8 1.0
C7 A:B3P413 3.9 24.6 1.0
O A:HOH604 3.9 24.1 1.0
CA A:VAL106 3.9 19.0 1.0
CZ A:TYR85 4.0 20.0 1.0
CE2 A:TYR85 4.0 16.9 1.0
C A:GLN105 4.0 17.7 1.0
N A:VAL106 4.1 17.3 1.0
CD1 A:ILE115 4.1 26.2 1.0
C6 A:B3P413 4.1 28.6 1.0
CG2 A:VAL106 4.1 20.6 1.0
CD A:GLN105 4.2 18.6 1.0
O5 A:B3P413 4.3 23.8 1.0
O A:HOH670 4.4 26.8 1.0
CB A:GLN105 4.5 18.9 1.0
NH2 A:ARG81 4.6 20.4 1.0
CB A:VAL106 4.6 19.4 1.0
C4 A:B3P413 4.6 27.9 1.0
CA A:GLN105 4.9 19.4 1.0
O A:HOH619 5.0 19.7 1.0

Bromine binding site 4 out of 15 in 8cir

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Bromine binding site 4 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br404

b:53.7
occ:0.75
NH1 A:ARG100 3.0 30.4 0.5
NH2 A:ARG100 3.1 29.8 0.5
O A:HOH586 3.2 40.0 1.0
OG A:SER132 3.3 34.9 1.0
CZ A:ARG100 3.4 27.1 0.5
O A:HOH805 3.6 22.5 0.5
CA A:LYS133 4.0 37.1 1.0
CB A:SER132 4.0 30.6 1.0
N A:LYS133 4.0 32.8 1.0
CE2 A:PHE103 4.1 25.4 1.0
CB A:LYS133 4.1 36.3 1.0
C A:SER132 4.2 32.4 1.0
O A:SER132 4.3 37.1 1.0
CZ A:PHE103 4.6 27.1 1.0
NE A:ARG100 4.7 28.1 0.5
CG A:LYS133 4.7 41.1 1.0
O A:ALA129 4.8 27.0 1.0
CA A:SER132 4.8 31.0 1.0
O A:HOH575 4.9 48.5 1.0

Bromine binding site 5 out of 15 in 8cir

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Bromine binding site 5 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br405

b:46.5
occ:0.75
N A:ARG275 3.2 24.6 1.0
O A:HOH816 3.5 35.1 1.0
CB A:ARG275 3.7 33.3 1.0
N A:LEU274 3.9 20.6 1.0
CB A:LEU274 3.9 24.8 1.0
CB A:ARG273 3.9 38.4 1.0
CA A:ARG275 4.0 26.2 1.0
C A:LEU274 4.1 24.4 1.0
CA A:LEU274 4.1 25.2 1.0
O A:HOH700 4.2 29.7 1.0
C A:ARG273 4.5 27.3 1.0
CG A:ARG273 4.5 52.5 1.0
CD A:ARG273 4.6 59.2 1.0
CA A:ARG273 4.7 28.9 1.0
CG A:LEU274 4.8 23.6 1.0

Bromine binding site 6 out of 15 in 8cir

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Bromine binding site 6 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br406

b:87.0
occ:1.00
O A:HOH836 3.0 34.9 1.0
CD A:ARG275 3.4 48.3 1.0
NH1 A:ARG275 3.6 59.8 1.0
NE A:ARG275 3.6 56.5 1.0
NE A:ARG279 3.7 45.9 1.0
NH2 A:ARG273 3.7 69.9 1.0
CG A:ARG275 3.7 42.7 1.0
CZ A:ARG275 3.8 59.7 1.0
NH2 A:ARG279 3.8 45.5 1.0
CZ A:ARG279 4.1 35.8 1.0
CG1 A:ILE276 4.2 32.0 1.0
CG A:PHE55 4.3 48.3 1.0
O A:HOH813 4.3 39.2 1.0
CD A:ARG279 4.3 34.4 1.0
CD2 A:PHE55 4.4 56.5 1.0
CD1 A:PHE55 4.4 52.6 1.0
NE A:ARG273 4.4 62.4 1.0
CB A:ARG275 4.5 33.3 1.0
CZ A:ARG273 4.5 59.7 1.0
CE2 A:PHE55 4.6 51.9 1.0
CE1 A:PHE55 4.6 56.1 1.0
NH2 A:ARG275 4.7 48.9 1.0
CZ A:PHE55 4.7 56.1 1.0
CB A:PHE55 4.7 41.7 1.0
O A:HOH863 4.7 34.2 1.0
CD1 A:ILE276 4.9 40.1 1.0

Bromine binding site 7 out of 15 in 8cir

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Bromine binding site 7 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br401

b:27.3
occ:0.80
O B:HOH557 3.3 25.8 1.0
NH1 B:ARG279 3.4 48.9 1.0
NE B:ARG279 3.5 51.9 1.0
O B:HOH702 3.5 28.2 1.0
CD1 B:TRP58 3.8 19.1 1.0
CZ B:ARG279 3.9 37.7 1.0
CB B:ARG279 4.1 31.2 1.0
NE1 B:TRP58 4.1 21.4 1.0
O B:HOH763 4.2 40.0 1.0
CZ B:PHE206 4.2 24.5 1.0
CE2 B:PHE206 4.3 27.3 1.0
O B:HOH756 4.3 37.5 1.0
CG B:ARG279 4.4 35.7 1.0
O B:HOH650 4.5 30.5 1.0
CD B:ARG279 4.5 36.5 1.0
O B:ARG279 4.6 26.0 1.0
CD2 B:LEU283 4.8 26.1 1.0
CA B:ARG279 4.8 29.2 1.0
C B:ARG279 4.9 25.1 1.0

Bromine binding site 8 out of 15 in 8cir

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Bromine binding site 8 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br402

b:25.4
occ:0.75
OH B:TYR85 3.1 23.8 1.0
O5 B:B3P411 3.2 26.7 0.9
O B:HOH630 3.4 20.7 1.0
NE2 B:GLN105 3.7 15.4 1.0
CG B:GLN105 3.8 17.4 1.0
O B:GLN105 3.8 16.1 1.0
O B:HOH632 3.9 23.3 1.0
CA B:VAL106 4.0 19.2 1.0
CZ B:TYR85 4.0 20.7 1.0
CD1 B:ILE115 4.0 26.7 1.0
CE2 B:TYR85 4.0 20.4 1.0
C6 B:B3P411 4.0 30.8 0.9
N B:VAL106 4.1 17.9 1.0
C B:GLN105 4.1 18.4 1.0
CG2 B:VAL106 4.1 20.4 1.0
CD B:GLN105 4.2 16.0 1.0
C5 B:B3P411 4.2 28.7 0.9
O4 B:B3P411 4.2 23.4 0.9
O B:HOH571 4.5 34.7 1.0
NH2 B:ARG81 4.5 24.4 1.0
CB B:GLN105 4.6 19.6 1.0
CB B:VAL106 4.6 19.3 1.0
C4 B:B3P411 4.8 32.6 0.9
O B:HOH570 5.0 18.5 1.0
CA B:GLN105 5.0 19.1 1.0

Bromine binding site 9 out of 15 in 8cir

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Bromine binding site 9 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br403

b:38.2
occ:0.70
N B:ASP252 3.1 31.8 1.0
O B:HOH579 3.2 29.6 1.0
CA B:ASN251 3.7 30.4 1.0
CE1 B:PHE250 3.9 27.8 1.0
CD1 B:PHE250 3.9 27.6 1.0
C B:ASN251 3.9 25.9 1.0
CA B:ASP252 4.0 36.2 1.0
CD1 B:LEU274 4.1 30.0 1.0
OD1 B:ASN251 4.2 43.7 1.0
O B:PHE250 4.2 28.1 1.0
CD2 B:LEU274 4.4 34.0 1.0
N B:ASN251 4.5 26.5 1.0
CG B:ASN251 4.5 41.5 1.0
C B:PHE250 4.6 24.6 1.0
CB B:ASN251 4.7 33.6 1.0
CB B:ASP252 4.8 45.1 1.0
CG B:LEU274 4.9 33.0 1.0

Bromine binding site 10 out of 15 in 8cir

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Bromine binding site 10 out of 15 in the The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br404

b:46.6
occ:0.70
O B:HOH782 2.7 37.9 1.0
ND2 B:ASN23 3.7 39.1 1.0
CG B:ASN23 4.3 34.7 1.0
CD B:PRO22 4.4 37.0 1.0
CB B:PRO22 4.4 32.5 1.0
CG B:PRO22 4.4 31.0 1.0
OD1 B:ASN23 4.6 32.6 1.0
CB B:ASN23 4.9 29.0 1.0

Reference:

W.J.Bradshaw, V.L.Katis, T.M.Leisner, M.Fairhead, C.Bountra, F.Von Delft, K.H.Pearce, P.E.Brennan. The Ferm Domain of Human Moesin with A Bound Peptide Identified By Phage Display To Be Published.
Page generated: Thu Jul 11 04:58:32 2024

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