Atomistry » Bromine » PDB 5cc3-5ev2 » 5eai
Atomistry »
  Bromine »
    PDB 5cc3-5ev2 »
      5eai »

Bromine in PDB 5eai: Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A

Enzymatic activity of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A

All present enzymatic activity of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A:
1.6.5.2;

Protein crystallography data

The structure of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A, PDB code: 5eai was solved by L.S.Pidugu, J.E.Mbimba, M.Ahmad, E.Pozharski, E.A.Sausville, A.Emadi, E.A.Toth, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 95.67 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 95.600, 210.770, 228.080, 90.00, 90.00, 90.00
R / Rfree (%) 18.3 / 22

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A (pdb code 5eai). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A, PDB code: 5eai:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in 5eai

Go back to Bromine Binding Sites List in 5eai
Bromine binding site 1 out of 5 in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Br302

b:0.6
occ:1.00
 BR B:E6A302 0.0 0.6 1.0
C5 B:E6A302 2.0 0.4 1.0
C27 B:E6A302 2.9 98.8 1.0
C4 B:E6A302 2.9 0.0 1.0
O20 B:E6A302 3.0 0.7 1.0
C6 B:E6A302 3.1 0.2 1.0
O41 B:E6A302 3.2 98.9 1.0
C22 B:E6A302 3.5 0.4 1.0
C A:GLY149 3.5 65.2 1.0
CA A:GLY149 3.7 62.7 1.0
O A:GLY149 3.7 65.5 1.0
N A:GLY150 3.9 60.6 1.0
C26 B:E6A302 4.2 97.7 1.0
C1 B:E6A302 4.3 0.3 1.0
C23 B:E6A302 4.4 0.5 1.0
C18 B:E6A302 4.4 99.7 1.0
CA A:GLY150 4.5 61.0 1.0
N A:GLY149 4.8 61.4 1.0
O38 B:E6A302 4.8 98.2 1.0
N1 A:FAD601 4.9 68.1 1.0
C13 B:E6A302 5.0 96.9 1.0
O40 B:E6A302 5.0 0.4 1.0

Bromine binding site 2 out of 5 in 5eai

Go back to Bromine Binding Sites List in 5eai
Bromine binding site 2 out of 5 in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Br602

b:0.5
occ:1.00
 BR E:E6A602 0.0 0.5 1.0
C5 E:E6A602 2.0 0.8 1.0
C4 E:E6A602 2.9 97.6 1.0
C27 E:E6A602 2.9 94.7 1.0
O20 E:E6A602 3.0 99.4 1.0
C6 E:E6A602 3.1 97.1 1.0
O41 E:E6A602 3.2 93.8 1.0
C22 E:E6A602 3.4 94.0 1.0
CE2 E:TYR128 3.5 68.2 1.0
C F:GLY149 3.6 66.5 1.0
CA F:GLY149 3.9 56.6 1.0
O F:GLY149 3.9 69.6 1.0
CE2 K:PHE232 4.0 85.8 1.0
N F:GLY150 4.0 62.0 1.0
CA K:GLN233 4.0 84.1 1.0
C1 E:E6A602 4.1 94.2 1.0
CD2 K:PHE232 4.1 82.6 1.0
C26 E:E6A602 4.2 93.3 1.0
CD2 E:TYR128 4.3 69.5 1.0
CB K:GLN233 4.3 87.8 1.0
C18 E:E6A602 4.3 86.0 1.0
OH E:TYR128 4.3 76.1 0.0
CZ E:TYR128 4.3 76.1 0.0
C23 E:E6A602 4.4 88.3 1.0
CA F:GLY150 4.6 61.4 1.0
N K:GLN233 4.7 82.4 1.0
O K:GLN233 4.8 88.7 1.0
O38 E:E6A602 4.8 95.8 1.0
C13 E:E6A602 4.8 87.4 1.0
O19 E:E6A602 4.8 96.4 1.0
O40 E:E6A602 4.9 86.5 1.0
N1 F:FAD301 4.9 56.2 1.0
C K:GLN233 4.9 87.2 1.0

Bromine binding site 3 out of 5 in 5eai

Go back to Bromine Binding Sites List in 5eai
Bromine binding site 3 out of 5 in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A within 5.0Å range:
probe atom residue distance (Å) B Occ
H:Br302

b:0.2
occ:1.00
 BR H:E6A302 0.0 0.2 1.0
C5 H:E6A302 2.0 0.3 1.0
C4 H:E6A302 2.9 96.2 1.0
O20 H:E6A302 3.0 97.4 1.0
C6 H:E6A302 3.1 95.7 1.0
C27 H:E6A302 3.2 88.8 1.0
O41 H:E6A302 3.3 88.1 1.0
CA G:GLY149 3.5 58.5 1.0
C G:GLY149 3.6 64.3 1.0
C22 H:E6A302 3.6 92.5 1.0
N G:GLY150 3.9 59.8 1.0
O G:GLY149 3.9 65.1 1.0
CE1 I:PHE232 4.0 88.5 1.0
C1 H:E6A302 4.1 91.6 1.0
CA I:GLN233 4.1 76.8 1.0
OH H:TYR128 4.2 77.9 1.0
CD1 I:PHE232 4.2 86.8 1.0
C18 H:E6A302 4.3 87.4 1.0
CZ H:TYR128 4.3 83.1 1.0
CE1 H:TYR128 4.5 78.0 0.0
C26 H:E6A302 4.5 86.8 1.0
CB I:GLN233 4.6 79.5 1.0
N G:GLY149 4.6 57.5 1.0
O I:GLN233 4.7 79.6 1.0
C23 H:E6A302 4.7 92.5 1.0
CA G:GLY150 4.7 59.3 1.0
N1 G:FAD601 4.7 59.5 1.0
O19 H:E6A302 4.7 93.2 1.0
C13 H:E6A302 4.8 86.7 1.0
N I:GLN233 4.8 75.4 1.0
C I:GLN233 4.9 79.3 1.0
C1' G:FAD601 5.0 49.5 1.0
CE2 H:TYR128 5.0 78.5 1.0

Bromine binding site 4 out of 5 in 5eai

Go back to Bromine Binding Sites List in 5eai
Bromine binding site 4 out of 5 in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A within 5.0Å range:
probe atom residue distance (Å) B Occ
K:Br602

b:0.5
occ:1.00
 BR K:E6A602 0.0 0.5 1.0
C5 K:E6A602 2.0 0.9 1.0
C4 K:E6A602 2.9 95.7 1.0
O20 K:E6A602 3.0 95.9 1.0
C27 K:E6A602 3.0 97.9 1.0
C6 K:E6A602 3.1 98.9 1.0
O41 K:E6A602 3.3 99.7 1.0
C22 K:E6A602 3.6 96.7 1.0
C L:GLY149 3.6 64.5 1.0
CA L:GLY149 3.6 61.1 1.0
O L:GLY149 3.9 68.3 1.0
CE1 K:TYR128 3.9 91.0 1.0
N L:GLY150 3.9 57.0 1.0
CE1 E:PHE232 4.0 98.0 1.0
C1 K:E6A602 4.0 95.4 1.0
O E:GLN233 4.1 83.9 1.0
CA E:GLN233 4.2 84.0 1.0
CD1 E:PHE232 4.2 95.9 1.0
OH K:TYR128 4.2 97.2 1.0
C18 K:E6A602 4.3 88.8 1.0
C26 K:E6A602 4.3 96.4 1.0
CZ K:TYR128 4.3 97.8 1.0
C23 K:E6A602 4.5 94.6 1.0
O19 K:E6A602 4.6 94.6 1.0
CA L:GLY150 4.6 55.9 1.0
C E:GLN233 4.7 85.2 1.0
N L:GLY149 4.7 60.1 1.0
CD1 K:TYR128 4.7 90.7 1.0
C13 K:E6A602 4.8 90.8 1.0
O38 K:E6A602 4.8 98.6 1.0
N1 L:FAD301 4.8 64.3 1.0
N E:GLN233 4.9 83.5 1.0
O40 K:E6A602 5.0 95.8 1.0

Bromine binding site 5 out of 5 in 5eai

Go back to Bromine Binding Sites List in 5eai
Bromine binding site 5 out of 5 in the Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of Nad(P)H Dehydrogenase, Quinone 1 Complexed with A Chemotherapeutic Naphthoquinone E6A within 5.0Å range:
probe atom residue distance (Å) B Occ
M:Br602

b:0.1
occ:1.00
 BR M:E6A602 0.0 0.1 1.0
C5 M:E6A602 2.1 1.0 1.0
C4 M:E6A602 3.0 0.8 1.0
O20 M:E6A602 3.0 0.8 1.0
C6 M:E6A602 3.2 0.1 1.0
C27 M:E6A602 3.2 0.8 1.0
O41 M:E6A602 3.4 0.2 1.0
C N:GLY149 3.6 63.8 1.0
C22 M:E6A602 3.6 0.4 1.0
O N:GLY149 3.7 64.0 1.0
CA N:GLY149 3.8 60.1 1.0
N N:GLY150 3.9 60.0 1.0
C1 M:E6A602 4.3 0.4 1.0
C18 M:E6A602 4.4 0.5 1.0
CA N:GLY150 4.4 60.9 1.0
C23 M:E6A602 4.5 0.5 1.0
C26 M:E6A602 4.6 0.0 1.0
CE1 M:TYR128 4.9 83.7 0.0
C13 M:E6A602 5.0 0.3 1.0

Reference:

L.S.Pidugu, J.C.Mbimba, M.Ahmad, E.Pozharski, E.A.Sausville, A.Emadi, E.A.Toth. A Direct Interaction Between NQO1 and A Chemotherapeutic Dimeric Naphthoquinone. Bmc Struct.Biol. V. 16 1 2016.
ISSN: ESSN 1472-6807
PubMed: 26822308
DOI: 10.1186/S12900-016-0052-X
Page generated: Sat Dec 12 02:25:40 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