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Bromine in PDB 1sv5: Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335

Enzymatic activity of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335

All present enzymatic activity of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335, PDB code: 1sv5 was solved by K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.95 / 2.90
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 222.510, 67.740, 103.290, 90.00, 107.47, 90.00
R / Rfree (%) 25.5 / 32.6

Bromine Binding Sites:

The binding sites of Bromine atom in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335 (pdb code 1sv5). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335, PDB code: 1sv5:

Bromine binding site 1 out of 1 in 1sv5

Go back to Bromine Binding Sites List in 1sv5
Bromine binding site 1 out of 1 in the Crystal Structure of K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335


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 K103N Mutant Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R165335 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br600

b:0.7
occ:1.00
BR A:65B600 0.0 0.7 1.0
C14 A:65B600 1.8 75.7 1.0
C13 A:65B600 2.8 71.6 1.0
C15 A:65B600 2.8 76.8 1.0
O17 A:65B600 3.1 62.5 1.0
N18 A:65B600 3.1 59.0 1.0
C2' A:65B600 3.3 63.2 1.0
CG2 A:VAL179 3.3 69.6 1.0
C1 A:65B600 4.0 63.2 1.0
C2 A:65B600 4.0 58.2 1.0
N12 A:65B600 4.0 80.2 1.0
N16 A:65B600 4.1 80.1 1.0
CB A:VAL179 4.5 80.9 1.0
N A:LYS101 4.6 76.2 1.0
C11 A:65B600 4.6 78.4 1.0
OE2 B:GLU138 4.8 97.2 1.0
ND2 A:ASN103 4.9 79.5 1.0

Reference:

K.Das, A.D.Clark Jr., P.J.Lewi, J.Heeres, M.R.De Jonge, L.M.Koymans, H.M.Vinkers, F.Daeyaert, D.W.Ludovici, M.J.Kukla, B.De Corte, R.W.Kavash, C.Y.Ho, H.Ye, M.A.Lichtenstein, K.Andries, R.Pauwles, M.-P.Debethune, P.L.Boyer, P.Clark, S.H.Hughes, P.A.Janssen, E.Arnold. Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-Nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective Against Wild-Type and Drug-Resistant Hiv-1 Variants J.Med.Chem. V. 47 2550 2004.
ISSN: ISSN 0022-2623
PubMed: 15115397
DOI: 10.1021/JM030558S
Page generated: Wed Jul 10 17:21:05 2024

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