Calcium in PDB 6aw9: 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili

Protein crystallography data

The structure of 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili, PDB code: 6aw9 was solved by S.Lovell, N.Mehzabeen, K.P.Battaile, Y.Deng, R.P.Hanzlik, I.Shams, J.Moskovitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.58 / 2.55
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.297, 102.410, 125.588, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.9

Calcium Binding Sites:

The binding sites of Calcium atom in the 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili (pdb code 6aw9). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili, PDB code: 6aw9:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 6aw9

Go back to Calcium Binding Sites List in 6aw9
Calcium binding site 1 out of 3 in the 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca301

b:58.0
occ:1.00
OD1 A:ASP140 2.4 52.7 1.0
OD2 A:ASP168 2.4 57.7 1.0
OD1 A:ASN169 2.4 55.2 1.0
OD2 A:ASP140 2.8 56.6 1.0
O A:HOH416 2.8 46.1 1.0
CG A:ASP140 2.9 50.9 1.0
CG A:ASN169 3.5 55.9 1.0
CG A:ASP168 3.5 56.5 1.0
ND2 A:ASN169 3.9 55.4 1.0
CB A:ASP168 4.2 51.8 1.0
NZ A:LYS143 4.3 49.3 1.0
OD1 A:ASP168 4.4 58.6 1.0
CB A:ASP140 4.4 38.1 1.0
CG1 A:VAL42 4.5 53.3 1.0
O A:MET40 4.6 63.5 1.0
NZ A:LYS46 4.6 61.6 1.0
O A:ASP140 4.7 46.1 1.0
CB A:ASN169 4.8 54.4 1.0
O A:SAH302 4.9 46.4 1.0
CE A:MET200 4.9 82.8 1.0
CA A:VAL42 5.0 50.2 1.0

Calcium binding site 2 out of 3 in 6aw9

Go back to Calcium Binding Sites List in 6aw9
Calcium binding site 2 out of 3 in the 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca301

b:53.0
occ:1.00
OD1 B:ASP140 2.5 46.4 1.0
OD2 B:ASP140 2.6 43.5 1.0
OD2 B:ASP168 2.6 55.2 1.0
OD1 B:ASN169 2.6 41.8 1.0
O B:HOH412 2.8 48.6 1.0
CG B:ASP140 2.9 40.8 1.0
CG B:ASN169 3.6 58.3 1.0
CG B:ASP168 3.7 50.1 1.0
ND2 B:ASN169 3.8 55.7 1.0
O B:MET40 4.0 52.3 1.0
O B:SAH302 4.1 49.2 1.0
NZ B:LYS143 4.3 42.9 1.0
CA B:VAL42 4.4 57.8 1.0
CB B:ASP140 4.4 41.0 1.0
CB B:ASP168 4.5 51.4 1.0
CB B:VAL42 4.6 49.3 1.0
OD1 B:ASP168 4.6 48.6 1.0
N B:VAL42 4.6 54.2 1.0
CB B:SAH302 4.6 45.3 1.0
CG2 B:VAL42 4.7 45.2 1.0
CG B:SAH302 4.8 47.0 1.0
N B:SAH302 4.9 50.9 1.0
C B:ASN41 4.9 55.6 1.0
O B:ASP140 4.9 43.7 1.0
CB B:ASN169 5.0 55.9 1.0
C B:SAH302 5.0 52.6 1.0

Calcium binding site 3 out of 3 in 6aw9

Go back to Calcium Binding Sites List in 6aw9
Calcium binding site 3 out of 3 in the 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of 2.55A Resolution Structure of Sah Bound Catechol O-Methyltransferase (Comt) L136M From Nannospalax Galili within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca301

b:83.2
occ:1.00
O C:HOH401 2.5 72.9 1.0
OE2 C:GLU198 2.6 86.0 1.0
OD1 C:ASP140 2.6 80.7 1.0
OD1 C:ASN169 2.6 78.7 1.0
OD2 C:ASP168 2.6 78.2 1.0
OD2 C:ASP140 3.1 92.8 1.0
CG C:ASP140 3.2 81.0 1.0
CG C:ASN169 3.7 79.9 1.0
CD C:GLU198 3.7 93.9 1.0
CG C:ASP168 3.8 77.8 1.0
ND2 C:ASN169 4.0 78.3 1.0
NZ C:LYS143 4.2 68.6 1.0
O C:MET40 4.2 94.6 1.0
OE1 C:GLU198 4.5 95.5 1.0
CG C:GLU198 4.5 98.3 1.0
OXT C:SAH302 4.6 92.9 1.0
CB C:ASP168 4.6 71.4 1.0
CA C:VAL42 4.7 92.3 1.0
CB C:ASP140 4.7 81.7 1.0
OD1 C:ASP168 4.8 73.6 1.0
O C:ASP140 4.8 71.5 1.0
CG2 C:VAL42 4.8 89.9 1.0
CB C:VAL42 4.9 86.5 1.0
CB C:SAH302 4.9 84.4 1.0
N C:VAL42 4.9 94.3 1.0
CG C:SAH302 4.9 85.2 1.0

Reference:

Y.Deng, S.Lovell, N.Mehzabeen, K.P.Battaile, R.P.Hanzlik, I.Shams, J.Moskovitz. Crystal Structure of the Catechol-O-Methyl Transferase (Comt) Enzyme of the Subterranean Mole Rat (Spalax) and the Effect of L136M Substitution To Be Published.
Page generated: Sat Dec 12 05:57:41 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy