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Chlorine in PDB 4lgy: Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis

Enzymatic activity of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis

All present enzymatic activity of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis:
6.3.5.3;

Protein crystallography data

The structure of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis, PDB code: 4lgy was solved by A.S.Tanwar, V.D.Goyal, D.Choudhary, S.Panjikar, R.Anand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.50 / 1.48
Space group P 65
Cell size a, b, c (Å), α, β, γ (°) 146.329, 146.329, 140.841, 90.00, 90.00, 120.00
R / Rfree (%) 14.2 / 16.6

Other elements in 4lgy:

The structure of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis also contains other interesting chemical elements:

Magnesium (Mg) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis (pdb code 4lgy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis, PDB code: 4lgy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 4lgy

Go back to Chlorine Binding Sites List in 4lgy
Chlorine binding site 1 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1331

b:52.8
occ:1.00
 O A:HOH2963 2.8 30.8 1.0
O A:HOH2263 3.0 32.2 1.0
CG A:GLN52 3.5 21.2 1.0
CA A:ALA53 3.6 11.0 1.0
N A:ALA53 3.7 11.5 1.0
OG1 A:THR56 3.7 15.1 1.0
C A:GLN52 3.8 11.9 1.0
O A:GLN52 3.8 12.2 1.0
CB A:ALA53 4.1 13.6 1.0
CB A:THR56 4.2 12.3 1.0
CB A:GLN52 4.3 14.6 1.0
O A:HOH2856 4.3 28.5 1.0
O A:HOH2679 4.3 31.8 1.0
NE2 A:GLN52 4.6 24.9 1.0
CD A:GLN52 4.6 23.9 1.0
CG2 A:THR56 4.7 12.7 1.0
CA A:GLN52 4.8 12.1 1.0
O A:HOH1741 4.9 19.8 1.0
C A:ALA53 4.9 11.2 1.0

Chlorine binding site 2 out of 6 in 4lgy

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Chlorine binding site 2 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1332

b:31.1
occ:0.60
 O A:HOH2778 2.7 30.6 1.0
O A:VAL1174 2.9 8.3 1.0
CD A:GLU1173 3.3 12.7 1.0
OE2 A:GLU1173 3.5 12.9 1.0
OE1 A:GLU1173 3.6 17.1 1.0
O A:HOH2256 3.7 31.2 1.0
CG A:GLU1173 3.7 11.1 1.0
C A:VAL1174 3.7 7.0 1.0
CB A:GLU1173 3.9 9.2 1.0
CA A:GLY1187 3.9 7.9 1.0
CG2 A:THR1175 3.9 11.3 1.0
O A:HOH2719 4.0 21.1 1.0
CA A:THR1175 4.1 7.0 1.0
N A:GLY1187 4.1 7.8 1.0
O A:HOH2254 4.2 30.8 1.0
N A:THR1175 4.3 7.0 1.0
N A:VAL1174 4.4 6.3 1.0
CB A:THR1175 4.5 9.4 1.0
O A:HOH2174 4.6 28.8 1.0
C A:GLU1173 4.6 7.1 1.0
C A:GLY1187 4.6 8.1 1.0
CA A:VAL1174 4.7 7.2 1.0
CA A:GLU1173 4.8 7.7 1.0
O A:GLY1187 4.9 10.9 1.0
O A:GLU1173 5.0 7.3 1.0

Chlorine binding site 3 out of 6 in 4lgy

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Chlorine binding site 3 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1333

b:23.2
occ:0.60
 O A:HOH1638 2.9 16.5 1.0
N A:HIS1273 3.1 6.5 1.0
O A:HIS1273 3.4 8.9 1.0
CD1 A:TRP1272 3.4 8.2 1.0
CA A:TRP1272 3.5 7.0 1.0
O A:HOH1531 3.7 11.4 1.0
O A:HOH2016 3.7 26.6 1.0
C A:TRP1272 3.8 5.6 1.0
CG A:TRP1272 4.0 7.2 1.0
NE1 A:TRP1272 4.0 8.4 1.0
C A:HIS1273 4.2 6.2 1.0
CA A:HIS1273 4.2 6.3 1.0
O A:SER1271 4.2 6.9 1.0
CD2 A:HIS1273 4.3 7.6 1.0
CB A:TRP1272 4.3 7.8 1.0
CG A:HIS1273 4.4 7.1 1.0
NE2 A:HIS1273 4.5 9.7 1.0
O A:HOH1508 4.5 12.6 1.0
N A:TRP1272 4.6 6.8 1.0
ND1 A:HIS1273 4.7 9.0 1.0
CE1 A:HIS1273 4.7 9.2 1.0
C A:SER1271 4.8 5.9 1.0
CE2 A:TRP1272 4.9 7.5 1.0
CD2 A:TRP1272 4.9 7.8 1.0
CB A:HIS1273 4.9 6.4 1.0
O A:HOH1529 4.9 13.2 1.0
O A:HOH2662 5.0 35.7 1.0

Chlorine binding site 4 out of 6 in 4lgy

Go back to Chlorine Binding Sites List in 4lgy
Chlorine binding site 4 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1334

b:46.4
occ:1.00
 O A:HOH1594 2.7 14.4 1.0
O A:ALA1102 2.8 7.0 1.0
ND2 A:ASN1143 3.2 18.9 1.0
O A:PHE1157 3.2 8.3 1.0
O A:HOH1556 3.6 11.3 1.0
O A:HOH2217 3.6 34.9 1.0
OE2 A:GLU1104 3.9 14.6 0.5
O A:HOH1691 3.9 18.6 1.0
C A:ALA1102 4.0 6.2 1.0
CG A:GLU1104 4.1 7.0 0.5
OE2 A:GLU1104 4.1 9.5 0.5
CG A:ASN1143 4.2 21.3 1.0
CB A:GLN1139 4.2 5.4 1.0
CG A:GLU1104 4.3 10.0 0.5
CD A:GLU1104 4.3 11.6 0.5
C A:PHE1157 4.3 7.1 1.0
O A:GLN1139 4.3 7.0 1.0
OG A:SER1142 4.4 10.2 1.0
OD1 A:ASN1143 4.4 27.0 1.0
N A:PHE1157 4.5 7.0 1.0
CD A:GLU1104 4.6 8.1 0.5
CG A:GLN1139 4.6 5.8 1.0
CA A:GLN1139 4.6 5.5 1.0
N A:ALA1102 4.6 6.2 1.0
CB A:PHE1157 4.7 7.4 1.0
C A:GLN1139 4.7 6.3 1.0
CA A:ALA1102 4.8 6.2 1.0
CA A:PHE1157 4.8 6.3 1.0
NH2 A:ARG1156 4.8 18.4 1.0
C A:GLY1101 4.9 6.3 1.0

Chlorine binding site 5 out of 6 in 4lgy

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Chlorine binding site 5 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1335

b:20.6
occ:0.50
 O A:PHE1124 2.8 11.3 1.0
O A:HOH1756 2.8 15.7 1.0
NH1 A:ARG1253 2.9 17.2 1.0
O A:HOH1861 3.3 19.2 1.0
O A:HOH1752 3.4 32.5 1.0
CZ A:ARG1253 3.4 17.6 1.0
OD1 A:ASN1251 3.5 19.4 1.0
NH2 A:ARG1253 3.8 20.1 1.0
CG2 A:VAL1254 3.9 10.5 1.0
C A:PHE1124 3.9 9.3 1.0
ND2 A:ASN1251 4.1 8.8 1.0
CD A:PRO1149 4.2 11.2 1.0
CB A:ARG1253 4.2 8.0 1.0
NE A:ARG1253 4.3 13.2 1.0
CG A:ASN1251 4.3 12.8 1.0
CA A:PHE1124 4.4 9.1 1.0
CG A:PRO1149 4.5 16.7 1.0
O A:ARG1126 4.6 13.8 1.0
CB A:PHE1124 4.7 9.1 1.0
O A:THR1129 4.8 8.6 1.0
OG1 A:THR1129 4.8 9.5 1.0
CB A:PRO1149 5.0 11.8 1.0

Chlorine binding site 6 out of 6 in 4lgy

Go back to Chlorine Binding Sites List in 4lgy
Chlorine binding site 6 out of 6 in the Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1336

b:35.6
occ:0.70
 O A:HOH1455 2.6 10.7 1.0
O A:HOH1530 2.8 13.2 1.0
O A:LEU652 3.0 6.7 1.0
O A:HOH1488 3.3 10.4 1.0
CB A:ALA384 3.6 8.6 1.0
O A:HOH2477 3.7 28.9 1.0
CA A:GLY656 3.9 6.5 1.0
O A:HOH1432 4.0 9.6 1.0
C2 A:ADP1301 4.2 6.8 1.0
N A:GLY656 4.2 5.3 1.0
C A:LEU652 4.3 5.6 1.0
O A:VAL653 4.4 6.8 1.0
N1 A:ADP1301 4.4 6.8 1.0
O A:ALA384 4.5 7.4 1.0
CA A:VAL653 4.6 5.3 1.0
CG2 A:VAL333 4.6 12.5 1.0
CG1 A:ILE655 4.6 5.8 1.0
O A:HOH2865 4.7 37.7 1.0
C A:GLY656 4.8 6.4 1.0
C A:VAL653 4.8 5.6 1.0
CA A:ALA384 4.8 6.7 1.0
O A:GLY656 4.9 6.3 1.0
C A:ALA384 4.9 6.2 1.0
CB A:ALA374 4.9 7.1 1.0
N A:VAL653 4.9 5.8 1.0

Reference:

A.S.Tanwar, V.D.Goyal, D.Choudhary, S.Panjikar, R.Anand. Importance of Hydrophobic Cavities in Allosteric Regulation of Formylglycinamide Synthetase: Insight From Xenon Trapping and Statistical Coupling Analysis Plos One V. 8 77781 2013.
ISSN: ESSN 1932-6203
PubMed: 24223728
DOI: 10.1371/JOURNAL.PONE.0077781
Page generated: Sun Jul 21 18:56:08 2024

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