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Chlorine in PDB 4eam: 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus

Enzymatic activity of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus

All present enzymatic activity of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus:
3.2.1.23;

Protein crystallography data

The structure of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus, PDB code: 4eam was solved by S.Lovell, K.P.Battaile, K.Deckert, L.C.Brunner, S.J.Budiardjo, J.Karanicolas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.16 / 1.70
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.700, 167.700, 96.398, 90.00, 90.00, 120.00
R / Rfree (%) 16.8 / 18.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus (pdb code 4eam). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus, PDB code: 4eam:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4eam

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Chlorine binding site 1 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:24.2
occ:1.00
 O A:HOH723 3.0 25.7 1.0
NE A:ARG286 3.1 22.4 1.0
OD1 A:ASN264 3.3 19.6 1.0
N A:SER265 3.4 17.0 1.0
NH2 A:ARG286 3.4 21.2 1.0
CA A:ASN264 3.5 15.9 1.0
O A:SER265 3.6 20.6 1.0
CZ A:ARG286 3.7 23.0 1.0
CB A:ASN264 3.7 20.0 1.0
CB A:ARG286 3.8 21.6 1.0
CE2 A:PHE267 3.8 19.6 1.0
CG A:ASN264 3.9 19.6 1.0
C A:ASN264 4.0 17.6 1.0
CG A:ARG286 4.0 19.6 1.0
CD A:ARG286 4.1 23.0 1.0
O A:ALA263 4.2 17.2 1.0
O A:ASN285 4.3 20.8 1.0
CA A:SER265 4.4 16.7 0.5
CA A:SER265 4.4 17.6 0.5
C A:SER265 4.4 16.4 1.0
CA A:ARG286 4.6 19.4 1.0
CZ A:PHE267 4.6 24.5 1.0
N A:ASN264 4.6 13.9 1.0
CE2 A:TYR262 4.6 17.6 1.0
C A:ASN285 4.7 19.2 1.0
CD2 A:PHE267 4.7 19.8 1.0
CB A:ASN285 4.7 21.8 1.0
C A:ALA263 4.9 16.3 1.0
N A:ARG286 4.9 21.1 1.0
CB A:SER265 4.9 21.2 0.5
CB A:SER265 4.9 20.8 0.5
CD2 A:TYR262 4.9 20.5 1.0

Chlorine binding site 2 out of 6 in 4eam

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Chlorine binding site 2 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:26.3
occ:1.00
 N A:TYR448 3.1 14.6 1.0
NH2 A:ARG440 3.2 18.9 1.0
O A:HOH849 3.4 33.0 1.0
O A:VAL446 3.7 16.4 1.0
CD2 A:TYR448 3.8 12.8 1.0
CA A:ASP447 3.9 15.6 1.0
CB A:TYR448 3.9 14.9 1.0
C A:ASP447 4.0 18.9 1.0
CA A:TYR448 4.1 15.6 1.0
CZ A:ARG440 4.2 22.7 1.0
OD1 A:ASP447 4.2 20.7 1.0
CG A:TYR448 4.3 14.5 1.0
NH1 A:ARG440 4.4 13.8 1.0
C A:VAL446 4.6 15.1 1.0
N A:ASP447 4.7 13.9 1.0
N A:ASN449 4.8 17.8 1.0
CG A:ASP447 4.8 22.0 1.0
CE2 A:TYR448 4.8 12.9 1.0
CB A:ASP447 4.9 18.3 1.0
C A:TYR448 4.9 19.0 1.0

Chlorine binding site 3 out of 6 in 4eam

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Chlorine binding site 3 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:32.6
occ:1.00
 O A:HOH712 3.0 26.9 1.0
NE A:ARG295 3.2 27.9 1.0
NH2 A:ARG295 3.4 26.5 1.0
CZ A:ARG295 3.8 29.4 1.0
CD1 A:TYR379 3.9 19.6 1.0
O A:ARG378 4.1 24.1 1.0
CG2 A:ILE294 4.2 24.1 1.0
CG A:ARG295 4.2 23.4 1.0
O A:HOH730 4.3 28.0 1.0
CA A:TYR379 4.3 21.0 1.0
CD A:ARG295 4.3 26.9 1.0
O A:TYR379 4.6 23.4 1.0
CE1 A:TYR379 4.6 19.9 1.0
CB A:TYR379 4.8 19.3 1.0
CG A:TYR379 4.8 19.2 1.0
C A:TYR379 4.9 24.6 1.0
O A:HOH786 5.0 28.4 1.0
C A:ARG378 5.0 23.4 1.0

Chlorine binding site 4 out of 6 in 4eam

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Chlorine binding site 4 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl501

b:21.9
occ:1.00
 NE B:ARG286 3.1 19.9 1.0
O B:HOH736 3.1 23.6 1.0
OD1 B:ASN264 3.3 18.1 1.0
NH2 B:ARG286 3.4 17.4 1.0
N B:SER265 3.4 17.4 1.0
CA B:ASN264 3.5 14.3 1.0
O B:SER265 3.6 15.6 1.0
CZ B:ARG286 3.7 16.8 1.0
CB B:ARG286 3.8 20.5 1.0
CB B:ASN264 3.8 13.1 1.0
CE2 B:PHE267 3.8 18.9 1.0
CG B:ASN264 4.0 14.6 1.0
C B:ASN264 4.0 17.7 1.0
CG B:ARG286 4.1 17.1 1.0
CD B:ARG286 4.1 17.9 1.0
O B:ALA263 4.2 14.2 1.0
CA B:SER265 4.5 16.7 0.5
C B:SER265 4.5 16.8 1.0
O B:ASN285 4.5 21.9 1.0
CA B:SER265 4.5 16.8 0.5
CA B:ARG286 4.6 17.7 1.0
CZ B:PHE267 4.6 19.1 1.0
N B:ASN264 4.7 12.3 1.0
CD2 B:PHE267 4.7 16.0 1.0
C B:ASN285 4.7 19.1 1.0
CE2 B:TYR262 4.7 14.6 1.0
CB B:ASN285 4.7 18.9 1.0
N B:ARG286 4.8 18.6 1.0
C B:ALA263 4.9 15.4 1.0
CB B:SER265 5.0 17.3 0.5
CB B:SER265 5.0 17.4 0.5
NH1 B:ARG286 5.0 18.5 1.0

Chlorine binding site 5 out of 6 in 4eam

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Chlorine binding site 5 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl502

b:28.8
occ:1.00
 O B:HOH768 3.1 29.7 1.0
O B:HOH884 3.1 48.7 1.0
NE B:ARG295 3.2 22.4 1.0
NH2 B:ARG295 3.3 25.6 1.0
CZ B:ARG295 3.7 27.2 1.0
O B:HOH934 3.7 51.0 1.0
CD1 B:TYR379 3.8 18.1 1.0
O B:ARG378 4.0 18.8 1.0
CG B:ARG295 4.1 24.4 1.0
CG2 B:ILE294 4.1 19.8 1.0
CA B:TYR379 4.2 18.2 1.0
O B:HOH778 4.2 28.1 1.0
CD B:ARG295 4.2 26.0 1.0
O B:TYR379 4.6 20.0 1.0
CE1 B:TYR379 4.6 16.7 1.0
CB B:TYR379 4.6 18.2 1.0
CG B:TYR379 4.7 16.9 1.0
C B:TYR379 4.9 22.0 1.0
C B:ARG378 4.9 18.3 1.0
O B:HOH793 4.9 27.2 1.0

Chlorine binding site 6 out of 6 in 4eam

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Chlorine binding site 6 out of 6 in the 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 1.70A Resolution Structure of Apo Beta-Glycosidase (W33G) From Sulfolobus Solfataricus within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl503

b:24.4
occ:1.00
 O B:HOH888 2.8 35.6 1.0
NH2 B:ARG440 3.1 14.0 1.0
N B:TYR448 3.2 12.4 1.0
O B:HOH717 3.6 23.4 1.0
CD2 B:TYR448 3.7 13.5 1.0
O B:VAL446 3.7 12.7 1.0
CA B:ASP447 3.9 12.5 1.0
CB B:TYR448 3.9 14.5 1.0
C B:ASP447 4.0 14.4 1.0
OD1 B:ASP447 4.0 18.7 1.0
CA B:TYR448 4.1 12.4 1.0
CZ B:ARG440 4.2 16.9 1.0
CG B:TYR448 4.3 14.7 1.0
NH1 B:ARG440 4.5 12.2 1.0
ND2 B:ASN449 4.6 40.7 1.0
C B:VAL446 4.6 13.4 1.0
N B:ASN449 4.7 15.0 1.0
CE2 B:TYR448 4.7 12.9 1.0
CG B:ASP447 4.7 18.0 1.0
N B:ASP447 4.8 11.9 1.0
CB B:ASP447 4.9 11.7 1.0
C B:TYR448 4.9 12.8 1.0

Reference:

K.Deckert, S.J.Budiardjo, L.C.Brunner, S.Lovell, J.Karanicolas. Designing Allosteric Control Into Enzymes By Chemical Rescue of Structure. J.Am.Chem.Soc. V. 134 10055 2012.
ISSN: ISSN 0002-7863
PubMed: 22655749
DOI: 10.1021/JA301409G
Page generated: Sat Dec 12 10:34:01 2020

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