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Vanadium in PDB 3qcd: Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form

Enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form

All present enzymatic activity of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form:
3.1.3.48;

Protein crystallography data

The structure of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form, PDB code: 3qcd was solved by S.Sheriff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.41 / 1.80
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 75.400, 75.400, 151.000, 90.00, 90.00, 120.00
R / Rfree (%) 24.1 / 25.7

Vanadium Binding Sites:

The binding sites of Vanadium atom in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form (pdb code 3qcd). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total only one binding site of Vanadium was determined in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form, PDB code: 3qcd:

Vanadium binding site 1 out of 1 in 3qcd

Go back to Vanadium Binding Sites List in 3qcd
Vanadium binding site 1 out of 1 in the Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Human Receptor Protein Tyrosine Phosphatase Gamma, Domain 1, in Complex with Vanadate, Trigonal Crystal Form within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V2001

b:35.1
occ:1.00
 V A:VO42001 0.0 35.1 1.0
O4 A:VO42001 1.7 33.2 1.0
O3 A:VO42001 1.7 33.4 1.0
O2 A:VO42001 1.7 35.9 1.0
O1 A:VO42001 1.7 35.1 1.0
SG A:CYS1060 2.8 29.5 1.0
N A:ALA1062 3.8 27.9 1.0
NE2 A:GLN1104 3.8 34.0 1.0
N A:GLY1065 3.8 24.4 1.0
OD1 A:ASP1028 3.8 40.3 1.0
O A:HOH2102 3.8 41.2 1.0
CB A:CYS1060 3.9 26.7 1.0
O A:HOH2101 3.9 37.2 1.0
CB A:ALA1062 4.0 27.6 1.0
N A:GLY1063 4.0 26.8 1.0
NE A:ARG1066 4.1 28.7 1.0
N A:SER1061 4.1 26.6 1.0
NH2 A:ARG1066 4.1 30.1 1.0
N A:ARG1066 4.1 21.4 1.0
N A:VAL1064 4.3 24.9 1.0
CA A:GLY1065 4.3 22.3 1.0
CA A:ALA1062 4.4 28.1 1.0
CZ A:ARG1066 4.6 31.5 1.0
CG A:ASP1028 4.6 42.3 1.0
C A:ALA1062 4.7 28.8 1.0
CB A:SER1061 4.7 29.2 1.0
CG2 A:VAL1064 4.7 25.7 1.0
C A:SER1061 4.7 28.4 1.0
CA A:SER1061 4.8 27.6 1.0
C A:GLY1065 4.8 21.9 1.0
CD A:GLN1104 4.8 34.0 1.0
C A:VAL1064 4.8 25.0 1.0
CB A:ARG1066 4.9 21.5 1.0
OD2 A:ASP1028 4.9 42.4 1.0
CA A:GLY1063 4.9 26.5 1.0

Reference:

S.Sheriff, B.R.Beno, W.Zhai, W.A.Kostich, P.A.Mcdonnell, K.Kish, V.Goldfarb, M.Gao, S.E.Kiefer, J.Yanchunas, Y.Huang, S.Shi, S.Zhu, C.Dzierba, J.Bronson, J.E.Macor, K.K.Appiah, R.S.Westphal, J.O'connell, S.W.Gerritz. Small Molecule Receptor Protein Tyrosine Phosphatase [Gamma](Rptp[Gamma]) Ligands That Inhibit Phosphatase Activity Via Perturbation of the Tryptophan-Proline-Aspartate (Wpd) Loop J.Med.Chem. V. 54 6548 2011.
ISSN: ISSN 0022-2623
PubMed: 21882820
DOI: 10.1021/JM2003766
Page generated: Fri Oct 11 19:26:33 2024

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