Atomistry » Calcium » PDB 1px7-1qcp » 1q7b
Atomistry »
  Calcium »
    PDB 1px7-1qcp »
      1q7b »

Calcium in PDB 1q7b: The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+

Enzymatic activity of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+

All present enzymatic activity of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+:
1.1.1.100;

Protein crystallography data

The structure of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+, PDB code: 1q7b was solved by A.C.Price, Y.-M.Zhang, C.O.Rock, S.M.White, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 72.748, 76.182, 99.733, 90.00, 109.47, 90.00
R / Rfree (%) 20 / 22.1

Calcium Binding Sites:

The binding sites of Calcium atom in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ (pdb code 1q7b). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 8 binding sites of Calcium where determined in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+, PDB code: 1q7b:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Calcium binding site 1 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 1 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca9002

b:24.8
occ:1.00
 O A:THR234 2.4 23.2 1.0
O D:HOH1037 2.4 24.1 1.0
O A:HOH4037 2.4 33.4 1.0
O D:THR234 2.4 22.1 1.0
OE2 D:GLU233 2.4 24.1 1.0
OE2 A:GLU233 2.5 22.6 1.0
CD D:GLU233 3.2 24.2 1.0
CD A:GLU233 3.2 22.8 1.0
OE1 D:GLU233 3.5 23.4 1.0
OE1 A:GLU233 3.5 24.4 1.0
C A:THR234 3.6 23.5 1.0
C D:THR234 3.6 21.8 1.0
ND1 A:HIS236 4.2 24.9 1.0
CA A:LEU235 4.3 23.8 1.0
CA D:LEU235 4.3 22.8 1.0
ND1 D:HIS236 4.3 26.7 1.0
CG D:GLU233 4.3 21.3 1.0
N A:LEU235 4.4 23.0 1.0
CG A:GLU233 4.4 21.6 1.0
N D:LEU235 4.4 21.1 1.0
N A:THR234 4.5 22.0 1.0
N D:THR234 4.6 20.8 1.0
CA A:THR234 4.6 21.5 1.0
CA D:THR234 4.6 22.0 1.0
N A:HIS236 4.6 22.4 1.0
N D:HIS236 4.7 22.1 1.0
CE1 A:HIS236 4.8 21.8 1.0
CE1 D:HIS236 4.9 23.5 1.0
O D:HOH1051 4.9 36.1 1.0
CB A:THR234 4.9 21.9 1.0
O A:HOH4051 4.9 35.1 1.0
CB D:THR234 5.0 22.2 1.0

Calcium binding site 2 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 2 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca9006

b:56.1
occ:1.00
 NZ A:LYS54 3.7 50.6 1.0
OE2 A:GLU76 4.3 44.6 1.0
O A:HOH1134 4.6 34.4 1.0
O A:HOH1063 4.6 29.4 1.0
CG A:LYS54 4.8 43.0 1.0
CD A:LYS54 4.8 45.6 1.0
CE A:LYS54 4.9 47.7 1.0

Calcium binding site 3 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 3 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca9007

b:50.8
occ:1.00
 OD1 A:ASN145 2.5 30.7 1.0
O A:HOH1046 2.6 34.1 1.0
O A:HOH1159 2.7 49.6 1.0
O A:HOH2041 2.9 26.4 1.0
O A:HOH1056 3.0 47.1 1.0
CG A:ASN145 3.6 30.4 1.0
O A:HOH2082 3.9 53.5 1.0
ND2 A:ASN145 4.1 30.4 1.0
O A:HOH2077 4.5 36.1 1.0
N A:GLY146 4.7 26.7 1.0
O A:HOH1084 4.9 42.2 1.0
O B:HOH2050 4.9 28.1 1.0
CB A:ASN145 4.9 28.7 1.0
O A:GLY146 4.9 27.4 1.0
OE1 A:GLN203 5.0 34.7 1.0

Calcium binding site 4 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 4 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca9001

b:25.0
occ:1.00
 O C:HOH2037 2.3 27.4 1.0
O B:HOH3037 2.4 24.6 1.0
O B:THR234 2.4 21.4 1.0
O C:THR234 2.4 19.2 1.0
OE2 B:GLU233 2.5 20.4 1.0
OE2 C:GLU233 2.5 23.5 1.0
CD B:GLU233 3.2 23.2 1.0
CD C:GLU233 3.3 23.1 1.0
OE1 B:GLU233 3.5 23.2 1.0
OE1 C:GLU233 3.6 24.5 1.0
C B:THR234 3.6 21.5 1.0
C C:THR234 3.6 21.7 1.0
ND1 C:HIS236 4.3 21.4 1.0
ND1 B:HIS236 4.3 26.2 1.0
CG B:GLU233 4.4 21.6 1.0
CA C:LEU235 4.4 21.2 1.0
CA B:LEU235 4.4 23.1 1.0
N B:LEU235 4.4 22.5 1.0
CG C:GLU233 4.4 22.5 1.0
N C:LEU235 4.4 18.8 1.0
N B:THR234 4.5 20.9 1.0
CA B:THR234 4.6 21.3 1.0
N C:THR234 4.6 21.1 1.0
CA C:THR234 4.7 21.3 1.0
N C:HIS236 4.7 19.9 1.0
N B:HIS236 4.7 23.1 1.0
CE1 B:HIS236 4.8 24.4 1.0
CE1 C:HIS236 4.8 21.4 1.0
O C:HOH2051 4.9 35.7 1.0
CB B:THR234 4.9 24.1 1.0
O B:HOH3051 4.9 37.2 1.0
CB C:THR234 5.0 22.1 1.0

Calcium binding site 5 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 5 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca9003

b:42.3
occ:1.00
 O B:GLY50 2.2 34.9 1.0
O B:GLY53 2.3 35.6 1.0
O B:HOH2063 2.4 30.1 1.0
C B:GLY50 3.3 36.0 1.0
C B:GLY53 3.5 37.3 1.0
N B:ALA51 4.1 35.9 1.0
N B:GLY53 4.2 38.3 1.0
CA B:ALA51 4.2 37.2 1.0
CA B:GLY50 4.2 35.9 1.0
CA B:GLY53 4.4 37.8 1.0
N B:LYS54 4.4 36.5 1.0
CA B:LYS54 4.5 37.0 1.0
C B:ALA51 4.6 38.0 1.0
O B:SER46 4.6 27.4 1.0
N B:GLY50 4.6 36.0 1.0
CB B:LYS54 4.6 38.8 1.0
N B:ASN52 4.9 38.2 1.0

Calcium binding site 6 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 6 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca9008

b:60.1
occ:1.00
 O B:HOH2046 2.5 36.8 1.0
OD1 B:ASN145 2.5 25.1 1.0
O B:HOH1041 3.0 31.2 1.0
O B:HOH2056 3.2 46.1 1.0
CG B:ASN145 3.6 26.4 1.0
ND2 B:ASN145 4.0 25.5 1.0
N B:GLY146 4.7 26.2 1.0
O B:HOH2160 4.7 44.3 1.0
O B:GLY146 4.9 25.2 1.0
CB B:ASN145 4.9 24.5 1.0
O A:HOH1050 5.0 31.2 1.0

Calcium binding site 7 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 7 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Ca9004

b:53.7
occ:1.00
 O C:HOH3046 2.5 32.9 1.0
OD1 C:ASN145 2.5 26.1 1.0
O C:HOH4041 2.8 31.6 1.0
O C:HOH3204 3.0 58.4 1.0
O C:HOH3056 3.2 44.8 1.0
O C:HOH3209 3.4 60.3 1.0
CG C:ASN145 3.6 26.8 1.0
O C:HOH4082 3.9 41.5 1.0
ND2 C:ASN145 4.1 26.2 1.0
N C:GLY146 4.6 22.5 1.0
O C:HOH4077 4.7 42.3 1.0
O D:HOH4050 4.8 26.4 1.0
O C:HOH3084 4.8 37.5 1.0
O C:GLY146 4.8 24.7 1.0
CB C:ASN145 4.9 23.1 1.0

Calcium binding site 8 out of 8 in 1q7b

Go back to Calcium Binding Sites List in 1q7b
Calcium binding site 8 out of 8 in the The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 8 of The Structure of Betaketoacyl-[Acp] Reductase From E. Coli in Complex with Nadp+ within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Ca9005

b:55.0
occ:1.00
 O D:HOH4213 2.3 52.8 1.0
OD1 D:ASN145 2.4 24.0 1.0
O D:HOH4046 2.7 37.3 1.0
O D:HOH3041 2.7 30.2 1.0
O D:HOH4214 2.9 51.0 1.0
O D:HOH4056 3.1 49.2 1.0
CG D:ASN145 3.5 24.7 1.0
O D:HOH3082 3.6 52.5 1.0
ND2 D:ASN145 3.9 22.0 1.0
O D:HOH4241 4.3 53.8 1.0
O D:HOH3077 4.5 43.9 1.0
O C:HOH3050 4.6 30.7 1.0
N D:GLY146 4.7 26.1 1.0
O D:HOH4225 4.7 53.5 1.0
CB D:ASN145 4.8 24.1 1.0
OE1 D:GLN203 4.9 31.7 1.0
O D:GLY146 4.9 27.6 1.0

Reference:

A.C.Price, Y.-M.Zhang, C.O.Rock, S.M.White. Cofactor-Induced Conformational Rearrangements Establish A Catalytically Competent Active Site and A Proton Relay Conduit in Fabg Structure V. 12 417 2004.
ISSN: ISSN 0969-2126
PubMed: 15016358
DOI: 10.1016/J.STR.2004.02.008
Page generated: Mon Jul 7 22:47:51 2025

Last articles

Ir in 5OD5
Ir in 5JML
Ir in 5T83
Ir in 5K7D
Ir in 5E1U
Ir in 5JMG
Ir in 5HQO
Ir in 5E2D
Ir in 4R0D
Ir in 4Y1N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy