Atomistry » Zinc » PDB 4c1d-4c6o » 4c4o
Atomistry »
  Zinc »
    PDB 4c1d-4c6o »
      4c4o »

Zinc in PDB 4c4o: Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh

Enzymatic activity of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh

All present enzymatic activity of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh:
1.1.1.1;

Protein crystallography data

The structure of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh, PDB code: 4c4o was solved by H.Man, C.Loderer, M.Ansorge-Schumacher, G.Grogan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 58.13 / 2.05
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 66.720, 88.840, 118.200, 90.00, 100.40, 90.00
R / Rfree (%) 20.482 / 24.073

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh (pdb code 4c4o). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 9 binding sites of Zinc where determined in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh, PDB code: 4c4o:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Zinc binding site 1 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 1 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn500

b:45.0
occ:0.75
 OD2 A:ASP154 2.0 57.3 1.0
OE2 A:GLU66 2.0 51.1 1.0
NE2 A:HIS65 2.1 54.4 1.0
O A:HOH2003 2.4 34.0 1.0
CE1 A:HIS65 2.9 47.5 1.0
CD2 A:HIS65 3.1 44.4 1.0
CD A:GLU66 3.1 47.9 1.0
CG A:ASP154 3.1 53.9 1.0
CG A:GLU66 3.6 43.7 1.0
CB A:ASP154 3.6 50.2 1.0
O A:HOH2006 3.8 55.4 1.0
O A:HOH2028 4.0 52.5 1.0
ND1 A:HIS65 4.0 51.2 1.0
CG A:HIS65 4.1 44.8 1.0
OE1 A:GLU66 4.2 45.0 1.0
OD1 A:ASP154 4.3 49.2 1.0
CB A:SER46 4.9 58.7 1.0
O A:HOH2002 5.0 41.8 1.0

Zinc binding site 2 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 2 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn600

b:38.7
occ:0.80
 SG A:CYS109 2.3 46.7 1.0
SG A:CYS101 2.3 45.1 1.0
SG A:CYS98 2.3 43.2 1.0
SG A:CYS95 2.4 48.2 1.0
CB A:CYS109 3.3 45.9 1.0
CB A:CYS101 3.4 46.5 1.0
CB A:CYS98 3.4 49.1 1.0
CB A:CYS95 3.4 52.1 1.0
N A:CYS95 3.5 42.9 1.0
N A:GLY96 3.7 43.1 1.0
O A:HOH2015 3.9 53.1 1.0
N A:CYS98 3.9 51.8 1.0
CA A:CYS95 3.9 46.1 1.0
N A:CYS101 4.1 48.0 1.0
CA A:CYS109 4.1 46.8 1.0
C A:CYS95 4.2 47.0 1.0
CA A:CYS98 4.2 50.3 1.0
CA A:CYS101 4.4 49.2 1.0
N A:GLY97 4.4 49.9 1.0
C A:GLY94 4.5 42.0 1.0
ND2 A:ASN111 4.5 52.0 1.0
CA A:GLY94 4.8 39.5 1.0
CA A:GLY96 4.8 49.1 1.0
C A:CYS98 4.8 54.4 1.0
CB A:ASN111 4.8 55.3 1.0
O A:CYS98 4.9 47.5 1.0
C A:CYS109 4.9 50.0 1.0
C A:GLY97 5.0 55.6 1.0
C A:GLY96 5.0 49.9 1.0

Zinc binding site 3 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 3 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn499

b:37.4
occ:0.50
 OE2 B:GLU66 2.0 37.5 0.5
NE2 B:HIS65 2.0 32.8 1.0
OD2 B:ASP154 2.1 35.4 1.0
CB B:CYS44 2.2 39.8 1.0
ZN B:ZN500 2.3 28.7 0.5
SG B:CYS44 2.3 38.3 1.0
CE1 B:HIS65 2.6 34.2 1.0
CD B:GLU66 2.9 35.5 0.5
CD2 B:HIS65 3.0 28.4 1.0
CA B:CYS44 3.3 34.2 1.0
CG B:GLU66 3.3 36.2 0.5
CG B:ASP154 3.4 30.8 1.0
NH2 B:ARG331 3.6 29.9 1.0
CG B:GLU66 3.6 35.5 0.5
ND1 B:HIS65 3.6 33.2 1.0
CG B:HIS65 3.8 32.4 1.0
N B:CYS44 3.9 35.0 1.0
CB B:ASP154 4.0 32.9 1.0
OE1 B:GLU66 4.1 35.6 0.5
CD B:GLU66 4.1 34.7 0.5
O B:HOH2010 4.2 27.5 1.0
O B:HOH2012 4.3 35.9 1.0
C B:CYS44 4.4 34.0 1.0
OE1 B:GLU66 4.4 33.6 0.5
OD1 B:ASP154 4.4 32.1 1.0
CZ B:ARG331 4.4 29.1 1.0
C B:LEU43 4.5 31.3 1.0
NE B:ARG331 4.7 27.7 1.0
CB B:GLU66 4.8 32.8 0.5
CB B:GLU66 4.8 32.0 0.5
O B:CYS44 4.8 31.9 1.0
OE2 B:GLU66 4.8 28.7 0.5
O B:LEU43 4.9 38.4 1.0
N B:HIS45 4.9 39.5 1.0
CB B:SER46 5.0 44.4 1.0

Zinc binding site 4 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 4 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn500

b:28.7
occ:0.50
 OD2 B:ASP154 1.8 35.4 1.0
O B:HOH2012 2.0 35.9 1.0
NE2 B:HIS65 2.1 32.8 1.0
ZN B:ZN499 2.3 37.4 0.5
SG B:CYS44 2.3 38.3 1.0
CG B:ASP154 2.7 30.8 1.0
CE1 B:HIS65 3.1 34.2 1.0
CD2 B:HIS65 3.1 28.4 1.0
OD1 B:ASP154 3.2 32.1 1.0
C5N B:NAD1000 3.4 31.5 1.0
CB B:CYS44 3.5 39.8 1.0
CB B:SER46 3.8 44.4 1.0
OE2 B:GLU66 4.0 37.5 0.5
OG B:SER46 4.0 39.5 1.0
CB B:ASP154 4.1 32.9 1.0
ND1 B:HIS65 4.2 33.2 1.0
C6N B:NAD1000 4.2 29.7 1.0
CG B:HIS65 4.2 32.4 1.0
C4N B:NAD1000 4.2 29.0 1.0
NH2 B:ARG331 4.5 29.9 1.0
CA B:CYS44 4.9 34.2 1.0
N B:SER46 4.9 39.7 1.0
CD B:GLU66 4.9 35.5 0.5
CA B:SER46 5.0 39.6 1.0
CG B:GLU66 5.0 36.2 0.5

Zinc binding site 5 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 5 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn600

b:36.2
occ:1.00
 SG B:CYS109 2.3 36.5 1.0
SG B:CYS98 2.3 35.1 1.0
SG B:CYS101 2.3 34.2 1.0
SG B:CYS95 2.4 35.1 1.0
CB B:CYS109 3.3 38.7 1.0
CB B:CYS98 3.4 34.8 1.0
CB B:CYS101 3.4 33.5 1.0
CB B:CYS95 3.5 38.6 1.0
N B:CYS95 3.5 36.0 1.0
N B:GLY96 3.8 32.7 1.0
N B:CYS98 3.9 35.9 1.0
CA B:CYS95 3.9 33.5 1.0
CA B:CYS109 4.0 39.3 1.0
N B:CYS101 4.2 34.4 1.0
CA B:CYS98 4.2 34.9 1.0
C B:CYS95 4.2 31.2 1.0
CA B:CYS101 4.4 34.5 1.0
ND2 B:ASN111 4.4 35.5 1.0
N B:GLY97 4.4 44.2 1.0
C B:GLY94 4.5 34.2 1.0
CA B:GLY94 4.8 32.7 1.0
C B:CYS98 4.8 33.9 1.0
C B:CYS109 4.8 36.9 1.0
CB B:ASN111 4.8 39.5 1.0
CA B:GLY96 4.8 38.6 1.0
O B:CYS98 4.9 33.9 1.0
C B:GLY96 5.0 39.9 1.0
C B:GLY97 5.0 42.7 1.0

Zinc binding site 6 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 6 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn500

b:60.7
occ:0.80
 OE2 C:GLU66 2.0 65.7 1.0
OD2 C:ASP154 2.0 72.2 1.0
NE2 C:HIS65 2.1 69.1 1.0
O C:HOH2003 2.5 44.5 1.0
CE1 C:HIS65 3.0 71.5 1.0
CD2 C:HIS65 3.0 64.1 1.0
CD C:GLU66 3.0 55.9 1.0
CG C:ASP154 3.1 61.1 1.0
CB C:ASP154 3.5 53.0 1.0
CG C:GLU66 3.5 55.7 1.0
ND1 C:HIS65 4.0 65.6 1.0
CG C:HIS65 4.1 70.3 1.0
OE1 C:GLU66 4.1 63.0 1.0
OD1 C:ASP154 4.2 70.2 1.0
CA C:ASP154 5.0 41.5 1.0
C C:LEU43 5.0 56.5 1.0

Zinc binding site 7 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 7 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 7 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn600

b:49.9
occ:1.00
 SG C:CYS109 2.3 47.2 1.0
SG C:CYS98 2.3 49.3 1.0
SG C:CYS101 2.3 47.4 1.0
SG C:CYS95 2.4 51.5 1.0
CB C:CYS109 3.3 48.5 1.0
CB C:CYS101 3.4 54.8 1.0
N C:CYS95 3.4 56.6 1.0
CB C:CYS98 3.4 55.6 1.0
CB C:CYS95 3.5 49.5 1.0
O C:HOH2009 3.7 49.4 1.0
N C:GLY96 3.7 53.5 1.0
CA C:CYS95 3.8 53.3 1.0
N C:CYS98 3.9 65.3 1.0
CA C:CYS109 4.1 49.6 1.0
N C:CYS101 4.1 49.1 1.0
C C:CYS95 4.2 57.5 1.0
CA C:CYS98 4.2 55.5 1.0
CA C:CYS101 4.3 55.7 1.0
N C:GLY97 4.4 63.9 1.0
C C:GLY94 4.4 62.7 1.0
ND2 C:ASN111 4.5 60.8 1.0
CA C:GLY94 4.7 59.2 1.0
CA C:GLY96 4.8 53.8 1.0
C C:CYS98 4.8 48.9 1.0
C C:CYS109 4.8 49.6 1.0
O C:CYS98 4.9 43.5 1.0
CB C:ASN111 4.9 58.6 1.0
C C:GLY96 5.0 60.9 1.0

Zinc binding site 8 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 8 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 8 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn500

b:92.9
occ:1.00
 OE2 D:GLU66 2.0 73.2 1.0
OD2 D:ASP154 2.0 77.4 1.0
NE2 D:HIS65 2.1 83.4 1.0
O D:HOH2001 2.4 54.6 1.0
CE1 D:HIS65 3.0 71.7 1.0
CD2 D:HIS65 3.0 70.1 1.0
CG D:ASP154 3.1 53.6 1.0
CD D:GLU66 3.1 62.8 1.0
CB D:ASP154 3.5 53.5 1.0
CG D:GLU66 3.5 58.0 1.0
O D:HOH2003 3.9 59.8 1.0
ND1 D:HIS65 4.0 73.4 1.0
CG D:HIS65 4.1 74.0 1.0
OD1 D:ASP154 4.2 59.6 1.0
OE1 D:GLU66 4.2 63.3 1.0
C D:LEU43 4.9 66.6 1.0
CA D:ASP154 5.0 40.4 1.0

Zinc binding site 9 out of 9 in 4c4o

Go back to Zinc Binding Sites List in 4c4o
Zinc binding site 9 out of 9 in the Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 9 of Structure of Carbonyl Reductase CPCR2 From Candida Parapsilosis in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn600

b:50.5
occ:1.00
 SG D:CYS98 2.3 50.5 1.0
SG D:CYS109 2.3 56.3 1.0
SG D:CYS101 2.4 50.4 1.0
SG D:CYS95 2.4 54.1 1.0
CB D:CYS109 3.3 50.7 1.0
CB D:CYS101 3.4 50.9 1.0
CB D:CYS98 3.4 51.9 1.0
CB D:CYS95 3.5 60.4 1.0
N D:CYS95 3.5 63.6 1.0
O D:HOH2005 3.6 48.4 1.0
N D:GLY96 3.8 68.8 1.0
N D:CYS98 3.8 58.4 1.0
CA D:CYS95 3.9 62.8 1.0
CA D:CYS109 4.1 54.0 1.0
N D:CYS101 4.1 53.5 1.0
CA D:CYS98 4.2 52.2 1.0
C D:CYS95 4.2 63.3 1.0
CA D:CYS101 4.4 55.5 1.0
N D:GLY97 4.4 61.1 1.0
ND2 D:ASN111 4.5 52.9 1.0
C D:GLY94 4.5 54.4 1.0
C D:CYS98 4.8 46.6 1.0
CA D:GLY96 4.8 69.5 1.0
CA D:GLY94 4.8 53.8 1.0
O D:CYS98 4.9 45.7 1.0
CB D:ASN111 4.9 51.3 1.0
C D:CYS109 4.9 55.0 1.0
C D:GLY97 4.9 62.3 1.0
C D:GLY96 5.0 65.8 1.0

Reference:

H.Man, C.Loderer, M.B.Ansorge-Schumacher, G.Grogan. Structure of Nadh-Dependent Carbonyl Reductase (CPCR2) From Candida Parapsilosis Provides Insight Into Mutations That Improve Catalytic Properties Chemcatchem V. 6 1103 2014.
ISSN: ISSN 1867-3880
DOI: 10.1002/CCTC.201300788
Page generated: Sat Oct 26 20:25:37 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy