3MJM

His257Ala mutant of dihydroorotase from E. coli

PDB DOI: https://doi.org/10.2210/pdb3MJM/pdb

Classification: HYDROLASE
Organism(s): Escherichia coli ATCC 8739
Expression System: Escherichia coli
Mutation(s): Yes

Deposited: 2010-04-13 Released: 2011-03-02
Deposition Author(s): Ernberg, K.E., Guss, J.M., Lee, M., Maher, M.J.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 1.87 Å
R-Value Free: 0.200
R-Value Work: 0.169
R-Value Observed: 0.171

wwPDB Validation 3D Report Full Report

Ligand Structure Quality Assessment

This is version 1.5 of the entry. See complete history.

Literature

His257Ala mutant of dihydroorotase from E. coli

Ernberg, K.E., Lee, M., Christopherson, R.I., Maher, M.J., Guss, J.M.

To be published.

Macromolecule Content

Total Structure Weight: 78.14 kDa
Atom Count: 5,877
Modelled Residue Count: 687
Deposited Residue Count: 694
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Dihydroorotase	A, B	347	Escherichia coli ATCC 8739	Mutation(s): 1 Gene Names: EcolC_2538, pyrC EC: 3.5.2.3
UniProt
Find proteins for B1IV40 (Escherichia coli (strain ATCC 8739 / DSM 1576 / NBRC 3972 / NCIMB 8545 / WDCM 00012 / Crooks)) Explore B1IV40 Go to UniProtKB: B1IV40
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	B1IV40
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 4 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
NCD Query on NCD Download Ideal Coordinates CCD File SDF format, chain H [auth B] MOL2 format, chain H [auth B]	H [auth B]	N-CARBAMOYL-L-ASPARTATE C₅ H₈ N₂ O₅ HLKXYZVTANABHZ-REOHCLBHSA-N		Interactions Focus chain H [auth B] Interactions & Density Focus chain H [auth B]
DOR Query on DOR Download Ideal Coordinates CCD File SDF format, chain E [auth A] MOL2 format, chain E [auth A]	E [auth A]	(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID C₅ H₆ N₂ O₄ UFIVEPVSAGBUSI-REOHCLBHSA-N		Interactions Focus chain E [auth A] Interactions & Density Focus chain E [auth A]
CP Query on CP Download Ideal Coordinates CCD File SDF format, chain I [auth B] MOL2 format, chain I [auth B]	I [auth B]	PHOSPHORIC ACID MONO(FORMAMIDE)ESTER C H₄ N O₅ P FFQKYPRQEYGKAF-UHFFFAOYSA-N		Interactions Focus chain I [auth B] Interactions & Density Focus chain I [auth B]
ZN Query on ZN Download Ideal Coordinates CCD File SDF format, chain C [auth A] SDF format, chain F [auth B] SDF format, chain G [auth B] SDF format, chain D [auth A] MOL2 format, chain C [auth A] MOL2 format, chain F [auth B] MOL2 format, chain G [auth B] MOL2 format, chain D [auth A]	C [auth A], D [auth A], F [auth B], G [auth B]	ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Focus chain D [auth A] Focus chain F [auth B] Focus chain G [auth B] Interactions & Density Focus chain C [auth A] Focus chain D [auth A] Focus chain F [auth B] Focus chain G [auth B]