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Manganese in PDB 1hq5: Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue

Enzymatic activity of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue

All present enzymatic activity of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue:
3.5.3.1;

Protein crystallography data

The structure of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue, PDB code: 1hq5 was solved by N.N.Kim, J.D.Cox, R.F.Baggio, F.A.Emig, S.K.Mistry, S.L.Harper, D.W.Speicher, S.M.Morris Jr., D.E.Ash, A.Traish, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.30
Space group P 3
Cell size a, b, c (Å), α, β, γ (°) 91.300, 91.300, 69.400, 90.00, 90.00, 120.00
R / Rfree (%) 15.8 / 19.4

Manganese Binding Sites:

The binding sites of Manganese atom in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue (pdb code 1hq5). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue, PDB code: 1hq5:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in 1hq5

Go back to Manganese Binding Sites List in 1hq5
Manganese binding site 1 out of 4 in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn500

b:28.6
occ:1.00
OD2 A:ASP124 2.1 13.5 1.0
OD2 A:ASP128 2.1 12.2 1.0
OD2 A:ASP232 2.2 17.7 1.0
O3 A:S2C551 2.2 30.2 1.0
ND1 A:HIS101 2.2 23.2 1.0
O1 A:S2C551 2.5 28.3 1.0
B A:S2C551 2.8 30.7 1.0
CG A:HIS101 3.1 23.2 1.0
CG A:ASP128 3.2 13.3 1.0
CG A:ASP124 3.2 13.9 1.0
CB A:HIS101 3.3 22.5 1.0
O2 A:S2C551 3.3 31.6 1.0
CE1 A:HIS101 3.3 22.7 1.0
CG A:ASP232 3.3 17.4 1.0
MN A:MN501 3.4 22.3 1.0
OD1 A:ASP128 3.5 10.9 1.0
OD1 A:ASP124 3.8 12.5 1.0
CB A:ASP232 3.8 18.6 1.0
O A:HIS141 4.1 16.8 1.0
CE A:S2C551 4.2 32.5 1.0
CD2 A:HIS101 4.3 22.2 1.0
NE2 A:HIS101 4.3 20.3 1.0
OD1 A:ASP232 4.4 18.9 1.0
NE1 A:TRP122 4.4 16.1 1.0
CB A:ASP124 4.4 13.9 1.0
CB A:ASP128 4.5 12.7 1.0
CZ2 A:TRP122 4.6 17.6 1.0
CG A:GLU277 4.7 19.7 1.0
CD A:S2C551 4.7 35.3 1.0
CA A:HIS101 4.8 22.8 1.0
CE2 A:TRP122 4.9 16.6 1.0
OE2 A:GLU277 4.9 20.5 1.0

Manganese binding site 2 out of 4 in 1hq5

Go back to Manganese Binding Sites List in 1hq5
Manganese binding site 2 out of 4 in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn501

b:22.3
occ:1.00
OD1 A:ASP124 2.1 12.5 1.0
O3 A:S2C551 2.2 30.2 1.0
OD2 A:ASP234 2.3 18.6 1.0
OD1 A:ASP234 2.4 16.7 1.0
ND1 A:HIS126 2.5 13.6 1.0
CG A:ASP234 2.7 20.0 1.0
O2 A:S2C551 2.7 31.6 1.0
OD2 A:ASP232 2.7 17.7 1.0
CG A:ASP124 2.9 13.9 1.0
B A:S2C551 3.0 30.7 1.0
OD2 A:ASP124 3.1 13.5 1.0
CG A:ASP232 3.2 17.4 1.0
CE1 A:HIS126 3.3 11.7 1.0
MN A:MN500 3.4 28.6 1.0
CG A:HIS126 3.6 12.1 1.0
OD1 A:ASP232 3.6 18.9 1.0
CE A:S2C551 3.8 32.5 1.0
CB A:HIS126 3.9 12.6 1.0
CB A:ASP232 4.0 18.6 1.0
N A:HIS126 4.1 13.4 1.0
N A:ALA125 4.1 14.8 1.0
O1 A:S2C551 4.1 28.3 1.0
CB A:ASP234 4.2 17.9 1.0
CB A:ASP124 4.3 13.9 1.0
CD A:S2C551 4.3 35.3 1.0
NE2 A:HIS126 4.5 12.7 1.0
CA A:HIS126 4.6 12.2 1.0
CD2 A:HIS126 4.6 12.7 1.0
O A:HOH614 4.7 12.5 1.0
CA A:ASP124 4.7 15.2 1.0
OD1 A:ASP128 4.7 10.9 1.0
CB A:ALA125 4.8 13.2 1.0
C A:ALA125 4.8 13.7 1.0
CA A:ALA125 4.8 13.5 1.0
OD2 A:ASP128 4.8 12.2 1.0
C A:ASP124 4.9 14.9 1.0
O A:THR246 4.9 23.0 1.0
C A:ASP234 5.0 16.2 1.0
O A:ASP234 5.0 16.8 1.0

Manganese binding site 3 out of 4 in 1hq5

Go back to Manganese Binding Sites List in 1hq5
Manganese binding site 3 out of 4 in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn502

b:27.1
occ:1.00
OD2 B:ASP124 2.1 19.6 1.0
OD2 B:ASP128 2.1 13.7 1.0
OD2 B:ASP232 2.1 21.2 1.0
O3 B:S2C552 2.2 20.0 1.0
ND1 B:HIS101 2.2 11.7 1.0
O1 B:S2C552 2.5 20.1 1.0
B B:S2C552 2.8 19.6 1.0
CG B:HIS101 3.1 11.5 1.0
CG B:ASP128 3.2 14.1 1.0
CB B:HIS101 3.3 12.8 1.0
CG B:ASP124 3.3 15.2 1.0
O2 B:S2C552 3.3 18.7 1.0
CG B:ASP232 3.3 18.9 1.0
CE1 B:HIS101 3.3 13.7 1.0
MN B:MN503 3.4 18.6 1.0
OD1 B:ASP128 3.5 12.3 1.0
OD1 B:ASP124 3.8 10.2 1.0
CB B:ASP232 3.8 18.4 1.0
O B:HIS141 4.1 13.2 1.0
CE B:S2C552 4.2 20.7 1.0
CD2 B:HIS101 4.3 9.6 1.0
OD1 B:ASP232 4.3 19.0 1.0
NE2 B:HIS101 4.3 9.2 1.0
NE1 B:TRP122 4.4 16.2 1.0
CB B:ASP124 4.5 16.3 1.0
CB B:ASP128 4.5 15.7 1.0
CZ2 B:TRP122 4.6 18.1 1.0
CG B:GLU277 4.7 17.5 1.0
CD B:S2C552 4.7 22.7 1.0
CA B:HIS101 4.8 14.3 1.0
CE2 B:TRP122 4.9 16.7 1.0
OE2 B:GLU277 4.9 15.9 1.0

Manganese binding site 4 out of 4 in 1hq5

Go back to Manganese Binding Sites List in 1hq5
Manganese binding site 4 out of 4 in the Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of the Binuclear Manganese Metalloenzyme Arginase Complexed with S-(2-Boronoethyl)-L-Cysteine, An L-Arginine Analogue within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn503

b:18.6
occ:1.00
OD1 B:ASP124 2.1 10.2 1.0
O3 B:S2C552 2.2 20.0 1.0
OD2 B:ASP234 2.3 16.7 1.0
OD1 B:ASP234 2.4 14.6 1.0
ND1 B:HIS126 2.5 15.1 1.0
O2 B:S2C552 2.7 18.7 1.0
CG B:ASP234 2.7 14.3 1.0
OD2 B:ASP232 2.8 21.2 1.0
CG B:ASP124 2.9 15.2 1.0
B B:S2C552 3.0 19.6 1.0
OD2 B:ASP124 3.1 19.6 1.0
CG B:ASP232 3.2 18.9 1.0
CE1 B:HIS126 3.3 13.0 1.0
MN B:MN502 3.4 27.1 1.0
CG B:HIS126 3.6 14.2 1.0
OD1 B:ASP232 3.6 19.0 1.0
CE B:S2C552 3.8 20.7 1.0
CB B:HIS126 4.0 14.1 1.0
CB B:ASP232 4.1 18.4 1.0
N B:ALA125 4.1 13.5 1.0
N B:HIS126 4.1 14.1 1.0
O1 B:S2C552 4.1 20.1 1.0
CB B:ASP234 4.2 13.5 1.0
CB B:ASP124 4.3 16.3 1.0
CD B:S2C552 4.3 22.7 1.0
NE2 B:HIS126 4.5 13.8 1.0
CD2 B:HIS126 4.6 13.4 1.0
CA B:HIS126 4.6 14.0 1.0
CA B:ASP124 4.7 15.8 1.0
OD1 B:ASP128 4.7 12.3 1.0
CB B:ALA125 4.7 11.7 1.0
CA B:ALA125 4.8 13.1 1.0
C B:ALA125 4.8 13.6 1.0
OD2 B:ASP128 4.8 13.7 1.0
C B:ASP124 4.9 15.4 1.0
O B:THR246 4.9 19.4 1.0
C B:ASP234 5.0 14.7 1.0
O B:ASP234 5.0 17.0 1.0

Reference:

N.N.Kim, J.D.Cox, R.F.Baggio, F.A.Emig, S.K.Mistry, S.L.Harper, D.W.Speicher, S.M.Morris Jr., D.E.Ash, A.Traish, D.W.Christianson. Probing Erectile Function: S-(2-Boronoethyl)-L-Cysteine Binds to Arginase As A Transition State Analogue and Enhances Smooth Muscle Relaxation in Human Penile Corpus Cavernosum. Biochemistry V. 40 2678 2001.
ISSN: ISSN 0006-2960
PubMed: 11258879
DOI: 10.1021/BI002317H
Page generated: Tue Dec 15 03:48:57 2020

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