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Cobalt in PDB 2wyr: 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit

Protein crystallography data

The structure of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit, PDB code: 2wyr was solved by F.M.D.Vellieux, M.A.Dura, B.Franzetti, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 49.68 / 2.25
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 113.263, 205.218, 113.488, 90.00, 100.78, 90.00
R / Rfree (%) 17 / 22

Cobalt Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Cobalt atom in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit (pdb code 2wyr). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 24 binding sites of Cobalt where determined in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit, PDB code: 2wyr:
Jump to Cobalt binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cobalt binding site 1 out of 24 in 2wyr

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Cobalt binding site 1 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co1332

b:28.6
occ:1.00
OE2 A:GLU205 2.1 33.2 1.0
OD2 A:ASP172 2.2 28.5 1.0
O A:HOH5140 2.3 26.8 1.0
NE2 A:HIS306 2.3 28.9 1.0
O A:HOH5139 2.4 44.3 1.0
CD A:GLU205 2.8 26.1 1.0
OE1 A:GLU205 2.8 24.2 1.0
CG A:ASP172 3.2 27.5 1.0
CD2 A:HIS306 3.2 23.4 1.0
CE1 A:HIS306 3.3 23.3 1.0
CO A:CO1333 3.4 24.7 1.0
OD1 A:ASP172 3.4 27.6 1.0
O A:HOH5086 4.0 18.0 1.0
O A:HOH5120 4.2 40.2 1.0
CG A:GLU205 4.2 23.1 1.0
OE1 A:GLU204 4.4 24.5 1.0
CG A:HIS306 4.4 26.6 1.0
ND1 A:HIS306 4.4 30.0 1.0
NE2 A:HIS61 4.5 18.0 1.0
CB A:ASP172 4.5 21.5 1.0
CE1 A:HIS61 4.6 14.1 1.0
OG A:SER228 4.9 45.4 1.0
NE2 C:HIS777 4.9 43.0 1.0
CG2 A:ILE65 5.0 19.3 1.0

Cobalt binding site 2 out of 24 in 2wyr

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Cobalt binding site 2 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co1333

b:24.7
occ:1.00
OD1 A:ASP172 2.1 27.6 1.0
O A:HOH5140 2.1 26.8 1.0
OD1 A:ASP227 2.2 30.2 1.0
NE2 A:HIS61 2.2 18.0 1.0
OD2 A:ASP227 2.7 31.7 1.0
CG A:ASP227 2.8 29.0 1.0
CG A:ASP172 2.9 27.5 1.0
CD2 A:HIS61 3.1 19.3 1.0
CE1 A:HIS61 3.2 14.1 1.0
OD2 A:ASP172 3.2 28.5 1.0
CO A:CO1332 3.4 28.6 1.0
O A:HOH5120 3.5 40.2 1.0
OG A:SER228 3.6 45.4 1.0
O A:HOH5139 3.8 44.3 1.0
OE2 A:GLU205 3.8 33.2 1.0
OE1 A:GLU204 3.9 24.5 1.0
CB A:ASP173 4.0 15.8 1.0
OE2 A:GLU204 4.0 26.3 1.0
CD A:GLU204 4.1 24.0 1.0
CB A:ASP172 4.2 21.5 1.0
CB A:ASP227 4.3 28.8 1.0
ND1 A:HIS61 4.3 19.8 1.0
CG A:HIS61 4.3 19.8 1.0
CG A:ASP173 4.4 27.1 1.0
N A:SER228 4.5 20.3 1.0
CD A:GLU205 4.6 26.1 1.0
OD2 A:ASP173 4.7 26.4 1.0
C A:ASP172 4.7 24.0 1.0
N A:ASP173 4.7 22.2 1.0
CA A:ASP173 4.7 20.5 1.0
CA A:ASP172 4.7 24.9 1.0
CA A:ASP227 4.9 26.5 1.0
CB A:SER228 5.0 27.2 1.0

Cobalt binding site 3 out of 24 in 2wyr

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Cobalt binding site 3 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co1663

b:30.6
occ:1.00
OE2 B:GLU536 2.0 27.1 1.0
OD2 B:ASP503 2.2 47.0 1.0
NE2 B:HIS637 2.2 29.4 1.0
O B:HOH5121 2.4 24.7 1.0
CD B:GLU536 2.7 30.1 1.0
OE1 B:GLU536 2.8 29.4 1.0
CD2 B:HIS637 3.1 25.0 1.0
CG B:ASP503 3.1 35.3 1.0
CE1 B:HIS637 3.3 26.1 1.0
OD1 B:ASP503 3.4 38.2 1.0
CO B:CO1664 3.4 25.8 1.0
O B:HOH5122 3.5 51.2 1.0
O B:HOH5075 4.0 17.2 1.0
CG B:GLU536 4.2 27.8 1.0
CG B:HIS637 4.3 33.5 1.0
ND1 B:HIS637 4.4 32.7 1.0
CB B:ASP503 4.4 40.5 1.0
OE1 B:GLU535 4.5 38.1 1.0
CE1 B:HIS392 4.6 25.1 1.0
NE2 B:HIS392 4.6 20.2 1.0
NE2 K:HIS3425 4.7 60.8 1.0
O B:HOH5077 4.8 40.0 1.0
O B:HOH5079 4.9 25.4 1.0
CG2 B:ILE396 4.9 18.7 1.0
OG B:SER559 4.9 43.6 1.0

Cobalt binding site 4 out of 24 in 2wyr

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Cobalt binding site 4 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 4 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Co1664

b:25.8
occ:1.00
OD1 B:ASP503 2.1 38.2 1.0
OD1 B:ASP558 2.1 28.8 1.0
NE2 B:HIS392 2.2 20.2 1.0
O B:HOH5121 2.3 24.7 1.0
OD2 B:ASP558 2.7 37.7 1.0
CG B:ASP558 2.7 38.6 1.0
CG B:ASP503 3.0 35.3 1.0
CE1 B:HIS392 3.1 25.1 1.0
CD2 B:HIS392 3.2 16.9 1.0
O B:HOH5122 3.3 51.2 1.0
OD2 B:ASP503 3.4 47.0 1.0
CO B:CO1663 3.4 30.6 1.0
O B:HOH5077 3.4 40.0 1.0
OG B:SER559 3.7 43.6 1.0
OE1 B:GLU535 3.9 38.1 1.0
CB B:ASP504 4.0 23.2 1.0
OE2 B:GLU536 4.0 27.1 1.0
OE2 B:GLU535 4.1 39.2 1.0
CD B:GLU535 4.1 37.8 1.0
CB B:ASP558 4.2 35.3 1.0
ND1 B:HIS392 4.2 25.7 1.0
CG B:HIS392 4.3 26.7 1.0
CB B:ASP503 4.4 40.5 1.0
CG B:ASP504 4.5 30.2 1.0
N B:SER559 4.5 24.2 1.0
CD B:GLU536 4.6 30.1 1.0
C B:ASP503 4.8 27.0 1.0
N B:ASP504 4.8 28.7 1.0
CA B:ASP504 4.8 28.9 1.0
CA B:ASP503 4.8 33.1 1.0
OD2 B:ASP504 4.8 27.6 1.0
CA B:ASP558 4.9 29.8 1.0

Cobalt binding site 5 out of 24 in 2wyr

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Cobalt binding site 5 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 5 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co1994

b:30.8
occ:1.00
OE2 C:GLU867 2.2 28.3 1.0
OD2 C:ASP834 2.2 26.4 1.0
O C:HOH5145 2.2 47.4 1.0
NE2 C:HIS968 2.3 26.9 1.0
O C:HOH5146 2.7 21.5 1.0
OE1 C:GLU867 2.7 20.7 1.0
CD C:GLU867 2.8 27.3 1.0
CG C:ASP834 3.2 28.2 1.0
CD2 C:HIS968 3.2 23.7 1.0
CE1 C:HIS968 3.3 26.1 1.0
CO C:CO1995 3.3 22.8 1.0
OD1 C:ASP834 3.4 25.3 1.0
O C:HOH5115 3.9 41.4 1.0
O C:HOH5090 4.2 22.8 1.0
CG C:GLU867 4.3 15.9 1.0
ND1 C:HIS968 4.4 28.8 1.0
CG C:HIS968 4.4 33.1 1.0
CD1 C:LEU967 4.4 56.6 1.0
NE2 C:HIS723 4.5 22.2 1.0
CB C:ASP834 4.5 20.1 1.0
OE1 C:GLU866 4.6 32.5 1.0
CE1 C:HIS723 4.6 19.1 1.0
O C:HOH5095 4.9 19.8 1.0
CG2 C:ILE727 4.9 18.8 1.0
NE2 A:HIS115 5.0 48.1 1.0

Cobalt binding site 6 out of 24 in 2wyr

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Cobalt binding site 6 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 6 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Co1995

b:22.8
occ:1.00
OD1 C:ASP834 2.0 25.3 1.0
OD1 C:ASP889 2.1 22.2 1.0
NE2 C:HIS723 2.3 22.2 1.0
O C:HOH5146 2.3 21.5 1.0
OD2 C:ASP889 2.6 24.7 1.0
CG C:ASP889 2.7 26.4 1.0
CG C:ASP834 3.0 28.2 1.0
CD2 C:HIS723 3.2 17.1 1.0
CE1 C:HIS723 3.3 19.1 1.0
CO C:CO1994 3.3 30.8 1.0
OD2 C:ASP834 3.4 26.4 1.0
O C:HOH5115 3.6 41.4 1.0
OE2 C:GLU867 3.9 28.3 1.0
CB C:ASP835 4.0 12.0 1.0
OE2 C:GLU866 4.0 38.8 1.0
OE1 C:GLU866 4.0 32.5 1.0
O C:HOH5145 4.0 47.4 1.0
OG C:SER890 4.1 33.8 1.0
CD C:GLU866 4.1 35.2 1.0
CB C:ASP889 4.3 20.9 1.0
CB C:ASP834 4.3 20.1 1.0
CG C:HIS723 4.4 27.5 1.0
ND1 C:HIS723 4.4 19.5 1.0
CG C:ASP835 4.4 26.7 1.0
N C:SER890 4.6 24.6 1.0
CD C:GLU867 4.6 27.3 1.0
OD2 C:ASP835 4.7 25.8 1.0
N C:ASP835 4.7 19.6 1.0
C C:ASP834 4.7 17.8 1.0
CA C:ASP835 4.8 22.1 1.0
CA C:ASP834 4.8 24.2 1.0
CB C:SER890 4.8 28.8 1.0
O C:HOH5104 4.9 20.8 1.0
CA C:ASP889 5.0 26.4 1.0

Cobalt binding site 7 out of 24 in 2wyr

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Cobalt binding site 7 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 7 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co2325

b:35.7
occ:1.00
OD2 D:ASP1165 2.2 40.5 1.0
OE2 D:GLU1198 2.2 34.4 1.0
NE2 D:HIS1299 2.2 35.9 1.0
OE1 D:GLU1198 2.5 23.5 1.0
CD D:GLU1198 2.7 30.2 1.0
O D:HOH5125 2.7 38.9 1.0
CG D:ASP1165 3.1 33.4 1.0
CD2 D:HIS1299 3.1 36.7 1.0
CE1 D:HIS1299 3.2 31.3 1.0
O D:HOH5124 3.3 40.5 1.0
CO D:CO2326 3.4 28.9 1.0
OD1 D:ASP1165 3.4 25.6 1.0
O D:HOH5088 3.9 26.3 1.0
CG D:GLU1198 4.2 29.3 1.0
CG D:HIS1299 4.3 36.5 1.0
ND1 D:HIS1299 4.3 34.6 1.0
CB D:ASP1165 4.5 29.6 1.0
OE1 D:GLU1197 4.5 40.1 1.0
NE2 J:HIS3094 4.5 60.9 1.0
CD1 D:LEU1298 4.6 52.3 1.0
NE2 D:HIS1054 4.6 28.3 1.0
CE1 D:HIS1054 4.8 26.5 1.0
OG D:SER1221 4.9 44.7 1.0
CG2 D:ILE1058 4.9 23.3 1.0
CE1 J:HIS3094 5.0 62.1 1.0
O D:HOH5044 5.0 33.3 1.0

Cobalt binding site 8 out of 24 in 2wyr

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Cobalt binding site 8 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 8 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Co2326

b:28.9
occ:1.00
OD1 D:ASP1165 2.0 25.6 1.0
NE2 D:HIS1054 2.2 28.3 1.0
OD1 D:ASP1220 2.3 34.5 1.0
OD2 D:ASP1220 2.6 44.7 1.0
O D:HOH5125 2.7 38.9 1.0
CG D:ASP1220 2.8 37.2 1.0
CG D:ASP1165 3.0 33.4 1.0
CD2 D:HIS1054 3.1 18.8 1.0
CE1 D:HIS1054 3.2 26.5 1.0
O D:HOH5124 3.4 40.5 1.0
CO D:CO2325 3.4 35.7 1.0
OD2 D:ASP1165 3.4 40.5 1.0
OE1 D:GLU1197 3.6 40.1 1.0
OG D:SER1221 3.7 44.7 1.0
CB D:ASP1166 3.8 27.0 1.0
OE2 D:GLU1198 3.8 34.4 1.0
OE2 D:GLU1197 4.0 39.5 1.0
CD D:GLU1197 4.0 38.5 1.0
CG D:HIS1054 4.3 27.0 1.0
CB D:ASP1220 4.3 26.0 1.0
ND1 D:HIS1054 4.3 25.7 1.0
CB D:ASP1165 4.3 29.6 1.0
CD D:GLU1198 4.4 30.2 1.0
CG D:ASP1166 4.5 30.2 1.0
N D:SER1221 4.6 30.1 1.0
N D:ASP1166 4.6 20.1 1.0
CA D:ASP1166 4.7 26.1 1.0
C D:ASP1165 4.7 24.6 1.0
OE1 D:GLU1198 4.7 23.5 1.0
CA D:ASP1165 4.8 26.0 1.0
OD2 D:ASP1166 4.8 31.1 1.0
O D:HOH5096 4.9 31.9 1.0
CA D:ASP1220 4.9 28.8 1.0

Cobalt binding site 9 out of 24 in 2wyr

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Cobalt binding site 9 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 9 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Co2656

b:30.9
occ:1.00
OE2 E:GLU1529 2.0 25.4 1.0
OD2 E:ASP1496 2.1 30.2 1.0
NE2 E:HIS1630 2.2 24.3 1.0
CD E:GLU1529 2.7 30.7 1.0
OE1 E:GLU1529 2.7 25.9 1.0
CG E:ASP1496 3.1 28.8 1.0
CD2 E:HIS1630 3.2 22.8 1.0
CE1 E:HIS1630 3.2 23.9 1.0
OD1 E:ASP1496 3.3 25.8 1.0
CO E:CO2657 3.4 27.1 1.0
O E:HOH5091 3.9 23.4 1.0
CG E:GLU1529 4.2 21.1 1.0
ND1 E:HIS1630 4.3 21.2 1.0
CG E:HIS1630 4.3 25.2 1.0
CB E:ASP1496 4.4 22.2 1.0
CE1 E:HIS1385 4.5 20.1 1.0
OE1 E:GLU1528 4.5 25.7 1.0
NE2 E:HIS1385 4.6 21.4 1.0
NE2 H:HIS2432 4.7 50.5 1.0
CG2 E:ILE1389 5.0 20.4 1.0

Cobalt binding site 10 out of 24 in 2wyr

Go back to Cobalt Binding Sites List in 2wyr
Cobalt binding site 10 out of 24 in the 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 10 of 3-D Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Co2657

b:27.1
occ:1.00
OD1 E:ASP1496 2.0 25.8 1.0
NE2 E:HIS1385 2.1 21.4 1.0
OD1 E:ASP1551 2.2 32.9 1.0
OD2 E:ASP1551 2.6 36.6 1.0
CG E:ASP1551 2.7 33.9 1.0
CE1 E:HIS1385 2.9 20.1 1.0
CG E:ASP1496 3.0 28.8 1.0
CD2 E:HIS1385 3.2 18.8 1.0
CO E:CO2656 3.4 30.9 1.0
OD2 E:ASP1496 3.5 30.2 1.0
OE2 E:GLU1529 3.8 25.4 1.0
OE1 E:GLU1528 3.8 25.7 1.0
CB E:ASP1497 3.9 21.4 1.0
OG E:SER1552 4.0 31.7 1.0
ND1 E:HIS1385 4.1 19.3 1.0
CD E:GLU1528 4.1 26.9 1.0
OE2 E:GLU1528 4.2 35.5 1.0
CB E:ASP1551 4.2 35.9 1.0
CG E:HIS1385 4.3 18.7 1.0
CB E:ASP1496 4.3 22.2 1.0
N E:SER1552 4.5 18.7 1.0
CG E:ASP1497 4.6 27.2 1.0
CD E:GLU1529 4.6 30.7 1.0
N E:ASP1497 4.7 28.5 1.0
C E:ASP1496 4.7 21.3 1.0
CA E:ASP1496 4.7 26.0 1.0
CA E:ASP1497 4.7 28.4 1.0
CB E:SER1552 4.9 33.4 1.0
OD2 E:ASP1497 4.9 20.5 1.0
CA E:ASP1551 4.9 31.3 1.0
O E:HOH5124 5.0 17.8 1.0

Reference:

M.A.Dura, F.M.D.Vellieux. Structure of PHTET1-12S, Dodecamer in the Asymmetric Unit To Be Published.
Page generated: Tue Jul 30 15:33:09 2024

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