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Asymmetric Unit

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Standalone Viewers

Protein Symmetry: C2 (View in 3D)

Protein Stoichiometry: A4

Biological Assembly 1

View in 3D: NGL or JSmol or PV (in Browser)

Standalone Viewers

Protein Symmetry: Dihedral - D3 (View in 3D)

Protein Stoichiometry: Hetero 12-mer - A6B6

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Macromolecule Content

  • Unique protein chains: 2

8ATC

COMPLEX OF N-PHOSPHONACETYL-L-ASPARTATE WITH ASPARTATE CARBAMOYLTRANSFERASE. X-RAY REFINEMENT, ANALYSIS OF CONFORMATIONAL CHANGES AND CATALYTIC AND ALLOSTERIC MECHANISMS

Structural Biology Knowledgebase: 8ATC SBKB.org

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.5 Å
  • R-Value Observed: 0.165

Literature
Download Primary Citation

Macromolecules
Sequence Display for 8ATC

Classification: TRANSFERASE (CARBAMOYL-P ASPARTATE)

Total Structure Weight: 103461.20

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Macromolecule Entities Toggle Protein Feature View Show All Entities Show First Few Entities
Molecule Chains Length Organism Details
×
          ASPARTATE CARBAMOYLTRANSFERASE (R STATE), CATALYTIC CHAIN A, C 310 Escherichia coli EC#: 2.1.3.2 IUBMB
          Mutation: E60Q, E147Q, Q149E, Q196E
          Gene Name(s): pyrB b4245 JW4204
          Metabolic Pathways
          Maps:       
          Reactions:
          Expand Pathway View ESCHER  BiGG
          Protein Feature View - UniProtKB AC: P0A786 UniProt
           
           
           
          Find similar proteins by: Sequence | Structure  
          ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN B, D 153 Escherichia coli Mutation: Q8G
          Gene Name(s): pyrI b4244 JW4203
          Metabolic Pathways
          Maps:       
          Reactions:
          Expand Pathway View ESCHER  BiGG
          Protein Feature View - UniProtKB AC: P0A7F3 UniProt
           
           
           
          Find similar proteins by: Sequence | Structure  

          Small Molecules
          Ligands 2 Unique
          ID Chains Name / Formula / InChI Key 2D Diagram & Interactions 3D Interactions
          PAL
          Query on PAL

          		A, C N-(PHOSPHONACETYL)-L-ASPARTIC ACID
           C6 H10 N O8 P
          ZZKNRXZVGOYGJT-VKHMYHEASA-N
          ×

          Poseview Image of PAL in 8ATC

          Help

          Black dashed lines indicate hydrogen bonds, salt bridges, and metal interactions. Green solid line show hydrophobic interactions and green dashed lines show π-π and π-cation interactions.

          Source Information

          Interactions are determined by geometric criteria as described in K. Stierand, M. Rarey (2010), Drawing the PDB: Protein-ligand complexes in two dimensions, ACS Med. Chem. Lett., DOI: 10.1021/ml100164p. Ions and some metal complexes are excluded, as well as cases where no interaction profile could be generated. Poseview diagrams can be calculated for approximately 92% of the remaining complexes in the PDB.

          PoseView is developed at the Center for Bioinformatics Hamburg and jointly provided with BioSolveIT as a community service at the PDB. A stand-alone version is provided by BioSolveIT.

          		Ligand Explorer NGL
           
          Binding Pocket (JSmol)
           
          Electron Density (JSmol)
          ZN
          Query on ZN

          		B, D ZINC ION
           Zn
          PTFCDOFLOPIGGS-UHFFFAOYSA-N
          ×

          Poseview Image of ZN in 8ATC

          Help

          Black dashed lines indicate hydrogen bonds, salt bridges, and metal interactions. Green solid line show hydrophobic interactions and green dashed lines show π-π and π-cation interactions.

          Source Information

          Interactions are determined by geometric criteria as described in K. Stierand, M. Rarey (2010), Drawing the PDB: Protein-ligand complexes in two dimensions, ACS Med. Chem. Lett., DOI: 10.1021/ml100164p. Ions and some metal complexes are excluded, as well as cases where no interaction profile could be generated. Poseview diagrams can be calculated for approximately 92% of the remaining complexes in the PDB.

          PoseView is developed at the Center for Bioinformatics Hamburg and jointly provided with BioSolveIT as a community service at the PDB. A stand-alone version is provided by BioSolveIT.

          		Ligand Explorer NGL
           
          Binding Pocket (JSmol)
           
          Electron Density (JSmol)

          Experimental Data & Validation

          Experimental Data

          • Method: X-RAY DIFFRACTION
          • Resolution: 2.5 Å
          • R-Value Observed: 0.165
          • Space Group: P 3 2 1

          Unit Cell:

          Length (Å) Angle (°)
          a = 122.11 α = 90.00
          b = 122.11 β = 90.00
          c = 156.17 γ = 120.00

          Structure Validation

          View Full Validation Report or Ramachandran Plots



          Entry History

          Deposition Data

          • Deposited Date: 1989-08-25
          • Released Date: 1990-10-15
          • Deposition author(s): Ke, H., Lipscomb, W.N., Cho, Y., Honzatko, R.B.

          Revision History

          • 2011-07-13
            Type: Version format compliance | Details: compliance with PDB Exchange Dictionary V4

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