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Bromine in PDB 7tmd: Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae

Enzymatic activity of Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae

All present enzymatic activity of Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae:
2.1.3.3;

Protein crystallography data

The structure of Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae, PDB code: 7tmd was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.54 / 2.35
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 95.093, 154.714, 150.557, 90, 91.04, 90
R / Rfree (%) 17.1 / 24

Other elements in 7tmd:

The structure of Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae also contains other interesting chemical elements:

Iodine (I) 1 atom

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae (pdb code 7tmd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae, PDB code: 7tmd:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in 7tmd

Go back to Bromine Binding Sites List in 7tmd
Bromine binding site 1 out of 4 in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae


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 Ornithine Carbamoyltransferase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:31.5
occ:0.50
 BR A:BR402 0.0 31.5 0.5
BR A:BR402 2.6 38.8 0.5
O A:HOH604 3.2 24.3 1.0
CE1 C:TYR76 3.5 24.4 1.0
CB C:ARG81 3.8 23.1 1.0
OH B:TYR76 3.8 30.9 1.0
CE1 B:TYR76 3.9 27.7 1.0
CZ B:TYR76 3.9 29.8 1.0
N C:VAL82 3.9 23.9 1.0
CA C:ARG81 4.0 21.7 1.0
OH C:TYR76 4.2 26.5 1.0
CZ C:TYR76 4.2 24.6 1.0
O C:VAL82 4.3 24.3 1.0
CD1 C:TYR76 4.3 26.4 1.0
C C:ARG81 4.5 18.6 1.0
CD1 B:TYR76 4.7 26.5 1.0
CE2 B:TYR76 4.7 21.4 1.0
CG A:ARG81 4.8 31.9 1.0
NE B:ARG81 4.8 60.4 1.0
CD B:ARG81 4.9 37.8 1.0
O C:HOH461 4.9 29.6 1.0

Bromine binding site 2 out of 4 in 7tmd

Go back to Bromine Binding Sites List in 7tmd
Bromine binding site 2 out of 4 in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae


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 Ornithine Carbamoyltransferase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br402

b:38.8
occ:0.50
 BR A:BR402 0.0 38.8 0.5
BR A:BR402 2.6 31.5 0.5
O A:HOH604 2.9 24.3 1.0
CE1 A:TYR76 3.2 29.4 1.0
OH A:TYR76 3.6 40.2 1.0
CG A:ARG81 3.6 31.9 1.0
CZ A:TYR76 3.8 33.0 1.0
CB A:ARG81 3.9 25.1 1.0
N A:VAL82 4.0 23.3 1.0
CA A:ARG81 4.0 25.8 1.0
CE1 C:TYR76 4.1 24.4 1.0
OH C:TYR76 4.1 26.5 1.0
CZ C:TYR76 4.2 24.6 1.0
CD1 A:TYR76 4.2 23.8 1.0
CD B:ARG81 4.3 37.8 1.0
O A:VAL82 4.4 20.9 1.0
C A:ARG81 4.6 24.4 1.0
CD1 C:TYR76 4.8 26.4 1.0
CG2 A:VAL82 4.9 26.1 1.0
CE2 C:TYR76 4.9 21.5 1.0
NE B:ARG81 5.0 60.4 1.0

Bromine binding site 3 out of 4 in 7tmd

Go back to Bromine Binding Sites List in 7tmd
Bromine binding site 3 out of 4 in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae


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 Ornithine Carbamoyltransferase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:33.2
occ:0.50
 BR D:BR401 0.0 33.2 0.5
BR D:BR401 2.4 28.5 0.5
O E:HOH487 3.2 20.6 1.0
CE1 D:TYR76 3.4 25.7 1.0
OH D:TYR76 3.9 27.5 1.0
CB D:ARG81 4.0 16.8 1.0
CZ D:TYR76 4.0 25.2 1.0
N D:VAL82 4.0 19.3 1.0
CA D:ARG81 4.1 32.4 1.0
CD E:ARG81 4.1 34.9 1.0
CE1 F:TYR76 4.2 29.7 1.0
OH F:TYR76 4.2 24.7 1.0
CZ F:TYR76 4.3 25.3 1.0
CD1 D:TYR76 4.3 25.3 1.0
O D:VAL82 4.4 27.9 1.0
NH1 E:ARG81 4.6 39.7 1.0
C D:ARG81 4.6 25.7 1.0
NE E:ARG81 4.7 38.9 1.0
CD1 F:TYR76 4.8 26.6 1.0
CZ E:ARG81 4.9 59.2 1.0
CE2 F:TYR76 5.0 23.1 1.0

Bromine binding site 4 out of 4 in 7tmd

Go back to Bromine Binding Sites List in 7tmd
Bromine binding site 4 out of 4 in the Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae


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 Ornithine Carbamoyltransferase From Klebsiella Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Br401

b:28.5
occ:0.50
 BR D:BR401 0.0 28.5 0.5
BR D:BR401 2.4 33.2 0.5
O E:HOH487 3.3 20.6 1.0
CE1 F:TYR76 3.7 29.7 1.0
OH E:TYR76 3.7 32.6 1.0
CB F:ARG81 3.8 23.3 1.0
CZ E:TYR76 3.8 31.7 1.0
CE1 E:TYR76 3.9 28.9 1.0
CA F:ARG81 4.0 24.6 1.0
CG F:ARG81 4.0 30.8 1.0
N F:VAL82 4.0 24.6 1.0
OH F:TYR76 4.3 24.7 1.0
CZ F:TYR76 4.3 25.3 1.0
CD1 F:TYR76 4.4 26.6 1.0
O F:VAL82 4.5 28.4 1.0
C F:ARG81 4.6 25.1 1.0
CD E:ARG81 4.6 34.9 1.0
CE2 E:TYR76 4.6 29.4 1.0
CD1 E:TYR76 4.7 26.0 1.0
O F:HOH417 4.7 32.2 1.0

Reference:

S.Lovell, L.Liu, K.P.Battaile, L.Tillery, R.Shek, J.K.Craig, L.K.Barrett, W.C.Van Voorhis. Crystal Structure of Ornithine Carbamoyltransferase From Klebsiella Pneumoniae To Be Published.
Page generated: Thu Jul 11 04:36:12 2024

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