PDBsum entry 4jvm

Transferase

PDB id: 4jvm

Contents

Protein chain

292 a.a.

Ligands

XDI ×2

A3P ×2

EDO ×4

Metals

_NA ×3

Waters ×503

PDB id:

4jvm

Name:

Transferase

Title:

Crystal structure of human estrogen sulfotransferase (sult1e1) in complex with inactive cofactor pap and brominated flame retardant tbbpa (tetrabromobisphenol a)

Structure:

Estrogen sulfotransferase. Chain: a, b. Synonym: est-1, sulfotransferase 1e1, st1e1, sulfotransferase, estrogen-preferring. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: ste, sult1e1. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.99Å R-factor: 0.185 R-free: 0.230

Authors:

R.A.Gosavi,G.A.Knudsen,L.S.Birnbaum,L.C.Pedersen

Key ref:

R.A.Gosavi et al. (2013). Mimicking of estradiol binding by flame retardants and their metabolites: a crystallographic analysis. Environ Health Perspect, 121, 1194-1199. PubMed id: 23959441 DOI: 10.1289/ehp.1306902

Date:

25-Mar-13 Release date: 04-Sep-13

Protein chains

P49888  (ST1E1_HUMAN) -  Sulfotransferase 1E1 from Homo sapiens

Seq: 294 a.a.

Struc: 292 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.2.8.2.4 - estrone sulfotransferase.
• Reaction: estrone + 3'-phosphoadenylyl sulfate = estrone 3-sulfate + adenosine 3',5'-bisphosphate + H⁺

estrone + 3'-phosphoadenylyl sulfate (Bound ligand (Het Group name = XDI) matches with 64.00% similarity) = estrone 3-sulfate (Bound ligand (Het Group name = A3P) corresponds exactly) + adenosine 3',5'-bisphosphate + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1289/ehp.1306902

Environ Health Perspect 121:1194-1199 (2013)

PubMed id: 23959441

Mimicking of estradiol binding by flame retardants and their metabolites: a crystallographic analysis.

R.A.Gosavi, G.A.Knudsen, L.S.Birnbaum, L.C.Pedersen.

ABSTRACT

No abstract given.