1PQW	Oxidoreductase	date	Jun 19, 2003
title	Putative Enoyl Reductase Domain Of Polyketide Synthase
authors	A.Gogos, H.Mu, L.Shapiro, New York Structural Genomics Research Consortium (Nysgrc)
compound		source
Molecule: Polyketide Synthase Chain: A, B Fragment: Putative Enoyl Reductase Domain Engineered: Yes		Organism_scientific: Mycobacterium Tuberculosis Cdc1551 Expression_system: Escherichia Coli Expression_system_common: Bacteria Expression_system_strain: Bl21 Expression_system_vector_type: Plasmid Expression_system_plasmid: Psmt3
symmetry	Space Group: P 21 21 21	R_factor	0.197
crystal cell	length a length b length c angle alpha angle beta angle gamma 69.830 78.391 81.604 90.00 90.00 90.00
method	X-Ray Diffraction	resolution	2.66 Å
ligand	CA	enzyme
note	1PQW is a representative structure
Gene Ontology	Chain Function Process Component A, B catalytic activity oxidoreductase activity transferase activity cofactor binding fatty acid biosynthetic proc... metabolic process

Data retrieval

Asymmetric unit, PDB entry: [header only] [complete with coordinates] (69 Kb) [Save to disk] Biological Unit Coordinates (1pqw.pdb1.gz) 56 Kb CSU: Contacts of Structural Units for 1PQW Likely Quarternary Molecular Structure file(s) for 1PQW Structure Factors (191 Kb) Retrieve 1PQW in mmCIF format [Save to disk]

View 1PQW in 3D

On Jmol, a nice Rasmol like molecule viewer. This is good for easiest viewing of basic structure. On FirstGlance, an excellent tool for a guided tour on the structure components, by E. Martz. On AstexViewer, from MSD-EBI (viewer documentation). On RasMol (Install RasMol freeware) Here's help on how to use RasMol.

Visual 3D analysis of 1PQW

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Structure-derived information

Electron Density related parameters from EDS Electron Density Server, at Upsala Dipole moment, from Dipole Server at Weizmann Institute Crystal Contacts, from CryCo at Weizmann Institute 3D motif for 1PQW, from MSDmotif at EBI Classification of representative domains in scop (Structural Classification of Proteins)     - Domain d1pqwa_, region A [Jmol] [rasmolscript] [script source]     - Domain d1pqwb_, region B [Jmol] [rasmolscript] [script source] Fold representative 1pqw from FSSP and Dali (Families of Structurally Similar Proteins) Class (fold), Architecture (subfold), Topology, Homologous superfamily from CATH Summaries and structural analyses of PDB data files from PDBSum Identification of Protein Pockets & Cavities at CASTp

Sequence-derived information

View one-letter amino acid or nucleotide sequence for each chain: [1pqw_A] [1pqw_B]

Other resources with information on 1PQW

MMDB (Entrez's Structure Database)

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