Atomistry » Chlorine » PDB 4b4j-4bbp » 4b4u
Atomistry »
  Chlorine »
    PDB 4b4j-4bbp »
      4b4u »

Chlorine in PDB 4b4u: Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor

Enzymatic activity of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor

All present enzymatic activity of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor:
1.5.1.5; 3.5.4.9;

Protein crystallography data

The structure of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor, PDB code: 4b4u was solved by T.C.Eadsforth, F.V.Maluf, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 52.60 / 1.45
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 55.036, 80.126, 68.620, 90.00, 107.11, 90.00
R / Rfree (%) 12.173 / 15.151

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor (pdb code 4b4u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor, PDB code: 4b4u:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4b4u

Go back to Chlorine Binding Sites List in 4b4u
Chlorine binding site 1 out of 5 in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1283

b:23.2
occ:1.00
 O A:HOH2108 3.0 24.1 1.0
O A:HOH2054 3.1 28.6 1.0
O A:HOH2135 3.2 28.5 1.0
NH2 A:ARG58 3.3 16.6 1.0
NH1 A:ARG51 3.5 26.6 1.0
CD A:ARG51 3.8 22.3 1.0
CA A:GLY54 3.8 10.7 1.0
NH1 A:ARG58 3.8 16.5 1.0
OG A:SER64 3.9 16.7 1.0
CZ A:ARG58 4.0 14.1 1.0
CA A:ARG51 4.2 13.2 1.0
O A:VAL50 4.3 12.7 1.0
CZ A:ARG51 4.3 22.1 1.0
O A:ARG51 4.4 13.6 1.0
NE A:ARG51 4.4 23.1 1.0
CE A:LYS66 4.4 0.0 0.0
N A:GLY54 4.5 10.9 1.0
C A:GLY54 4.5 10.5 1.0
C A:ARG51 4.8 12.0 1.0
O A:HOH2133 4.8 39.4 1.0
C A:VAL50 4.8 12.0 1.0
CD A:LYS66 4.9 24.8 1.0
N A:ARG51 4.9 12.6 1.0
CB A:SER64 4.9 15.1 1.0
CG A:ARG51 4.9 17.7 1.0
N A:ASN55 4.9 10.3 1.0
CB A:ARG51 4.9 15.0 1.0
O A:HOH2155 5.0 25.5 1.0

Chlorine binding site 2 out of 5 in 4b4u

Go back to Chlorine Binding Sites List in 4b4u
Chlorine binding site 2 out of 5 in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1284

b:15.4
occ:1.00
 O A:HOH2142 3.1 20.3 1.0
NH1 A:ARG59 3.2 13.9 1.0
CG A:ARG59 3.4 16.0 1.0
O A:HOH2015 3.4 34.9 1.0
CD A:ARG59 3.5 15.5 1.0
CB A:ASN55 4.1 11.8 1.0
CZ A:ARG59 4.2 14.0 1.0
NE A:ARG59 4.3 14.0 1.0
O A:ASN55 4.3 11.1 1.0
C A:ASN55 4.7 10.2 1.0
CG A:ASN55 4.7 10.7 1.0
O A:HOH2144 4.9 21.3 1.0
CB A:ARG59 4.9 13.5 1.0
CA A:ASN55 4.9 10.9 1.0
ND2 A:ASN55 5.0 13.1 1.0

Chlorine binding site 3 out of 5 in 4b4u

Go back to Chlorine Binding Sites List in 4b4u
Chlorine binding site 3 out of 5 in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1285

b:23.2
occ:1.00
 NZ B:LYS172 3.0 19.1 1.0
O A:HOH2250 3.2 21.7 1.0
CE B:LYS172 3.4 17.3 1.0
NH1 B:ARG166 3.5 14.9 1.0
CD B:ARG166 3.6 12.0 1.0
CA A:GLN180 3.6 14.5 0.5
CA A:GLN180 3.6 14.2 0.5
CG A:GLN180 3.7 23.0 0.5
N A:GLN180 3.7 12.1 1.0
O A:LEU179 3.8 13.3 1.0
C A:LEU179 3.8 12.2 1.0
CG A:LEU179 3.9 12.5 1.0
O A:HOH2253 4.1 47.1 1.0
CZ B:ARG166 4.1 13.9 1.0
NE B:ARG166 4.1 11.9 1.0
NE2 A:GLN180 4.2 22.9 0.5
CD2 A:LEU179 4.2 14.4 1.0
CD A:GLN180 4.2 21.4 0.5
CB A:GLN180 4.2 17.3 0.5
CB A:GLN180 4.3 14.9 0.5
CB A:LEU179 4.4 11.1 1.0
O A:HOH2298 4.5 30.0 1.0
CG B:ARG166 4.7 11.7 1.0
CA A:LEU179 4.7 11.4 1.0
C A:GLN180 4.8 13.3 1.0
CD B:LYS172 4.9 15.2 1.0
O B:HOH2256 4.9 43.6 1.0

Chlorine binding site 4 out of 5 in 4b4u

Go back to Chlorine Binding Sites List in 4b4u
Chlorine binding site 4 out of 5 in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1283

b:24.3
occ:1.00
 NZ A:LYS172 3.1 20.1 1.0
O A:HOH2295 3.3 22.1 1.0
CE A:LYS172 3.4 18.0 1.0
NH1 A:ARG166 3.5 13.3 1.0
CA B:GLN180 3.6 14.2 1.0
O B:LEU179 3.6 13.6 1.0
CD A:ARG166 3.6 11.5 1.0
N B:GLN180 3.7 12.5 1.0
C B:LEU179 3.7 11.6 1.0
CD B:GLN180 3.7 26.4 1.0
OE1 B:GLN180 3.8 39.2 1.0
CG B:LEU179 3.8 12.6 1.0
CG B:GLN180 3.9 23.4 1.0
CZ A:ARG166 4.1 13.2 1.0
O A:HOH2288 4.1 27.5 1.0
NE A:ARG166 4.2 12.1 1.0
CD2 B:LEU179 4.2 14.3 1.0
NE2 B:GLN180 4.2 33.4 1.0
CB B:LEU179 4.3 11.5 1.0
CB B:GLN180 4.3 16.7 1.0
CA B:LEU179 4.7 11.0 1.0
O B:HOH2220 4.7 48.9 1.0
CG A:ARG166 4.7 10.8 1.0
C B:GLN180 4.8 13.3 1.0
O B:ALA131 4.8 16.1 1.0
CD A:LYS172 4.9 15.4 1.0
CD1 B:LEU179 5.0 13.8 1.0

Chlorine binding site 5 out of 5 in 4b4u

Go back to Chlorine Binding Sites List in 4b4u
Chlorine binding site 5 out of 5 in the Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Acinetobacter Baumannii N5, N10-Methylenetetrahydrofolate Dehydrogenase-Cyclohydrolase (Fold) Complexed with Nadp Cofactor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1284

b:17.4
occ:1.00
 OE1 B:GLN71 2.4 26.6 0.5
O B:HOH2197 3.1 15.4 1.0
CD B:GLN71 3.2 22.1 0.5
O B:HOH2142 3.2 27.5 1.0
NE2 B:GLN71 3.2 18.2 0.5
CB B:PRO101 3.7 12.2 1.0
CG B:PRO101 3.9 13.1 1.0
CA B:PRO101 4.0 11.9 1.0
O B:HOH2093 4.2 54.2 1.0
CB B:GLN71 4.6 13.5 0.5
CG B:GLN71 4.6 22.2 0.5
NE2 B:GLN71 4.8 13.5 0.5
N B:PRO101 4.9 10.9 1.0
N B:ALA102 4.9 10.9 1.0
O B:HOH2194 5.0 30.2 1.0
O B:HOH2196 5.0 31.5 1.0

Reference:

T.C.Eadsforth, F.V.Maluf, W.N.Hunter. Acinetobacter Baumannii Fold Ligand Complexes; Potent Inhibitors of Folate Metabolism and A Re-Evaluation of the LY374571 Structure. Febs J. V. 279 4350 2012.
ISSN: ISSN 1742-464X
PubMed: 23050773
DOI: 10.1111/FEBS.12025
Page generated: Sun Jul 21 09:44:11 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy