_EC 4.2.1.3 Aconitate hydratase. 21 PDB entries  
EC 4.-.-.- Lyases. [3,613 PDB entries]
EC 4.2.-.- Carbon-oxygen lyases. [1,756 PDB entries]
EC 4.2.1.- Hydro-lyases. [1,361 PDB entries]
EC 4.2.1.3 Aconitate hydratase. [21 PDB entries]    
1aco

Pathway: Aconitate Hydratase
Reaction: Citrate = isocitrate.
 


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

Other name(s): Aconitase. Cis-aconitase. Citrate hydro-lyase. Citrate(isocitrate) hydro-lyase.
Cofactor(s): Iron-sulfur.
 

Iron-sulfur
Molecule diagrams generated from .mol files obtained from the KEGG ftp site.
Comments: Besides interconverting citrate and cis-aconitate, it also interconverts cis-aconitate with isocitrate and, hence, interconverts citrate and isocitrate. The equilibrium mixture is 91% citrate, 6% isocitrate and 3% aconitate. Cis-aconitate is used to designate the isomer (Z)-prop-1-ene-1,2,3- tricarboxylate. Formerly Ec 4.2.1.4.
Links:   [IntEnz]   [ExPASy]   [KEGG]  

There are 21 PDB entries in enzyme class E.C.4.2.1.3

  PDB code Protein
1aco
Crystal structure of aconitase with transaconitate bound
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group TRA is 92.00% similar to enzyme reactant citrate
1ami
Steric and conformational features of the aconitase mechanism
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group MIC is 92.00% similar to enzyme product Isocitrate
1amj
Steric and conformational features of the aconitase mechanism
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
1b0j
Crystal structure of aconitase with isocitrate
Source: Sus scrofa. Pig. Organism_taxid: 9823. Organ: heart. Organelle: mitochondria. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group ICT corresponds to enzyme product Isocitrate
1b0k
S642a:fluorocitrate complex of aconitase
Source: Sus scrofa. Pig. Organism_taxid: 9823. Strain: bl21 de3. Organ: heart. Organelle: mitochondria. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group FLC corresponds to enzyme reactant citrate
1b0m
Aconitase r644q:fluorocitrate complex
Source: Sus scrofa. Pig. Organism_taxid: 9823. Strain: bl21 de3. Organ: heart. Organelle: mitochondria. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group FLC corresponds to enzyme reactant citrate
1c96
S642a:citrate complex of aconitase
Source: Bos taurus. Cattle. Organism_taxid: 9913. Organ: heart. Organelle: mitochondria. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group FLC corresponds to enzyme reactant citrate
1c97
S642a:isocitrate complex of aconitase
Source: Bos taurus. Cattle. Organism_taxid: 9913. Organ: heart. Organelle: mitochondria. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group ICT corresponds to enzyme product Isocitrate
1fgh
Complex with 4-hydroxy-trans-aconitate
Source: Bos taurus. Cattle. Organism_taxid: 9913. Organ: heart. Tissue: heart mitochondria
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group ATH corresponds to enzyme product Isocitrate
1l5j
Crystal structure of e. Coli aconitase b.
Source: Escherichia coli. Organism_taxid: 562. Expressed in: escherichia coli bl21. Expression_system_taxid: 511693.
Chains: A, B (862 residues) CATH domains: Unassigned 3.20.19.10 3.40.1060.10 3.30.499.10 3.30.499.10
Bound ligand:   Het Group TRA is 92.00% similar to enzyme reactant citrate
1nis
Crystal structure of aconitase with trans-aconitate and nitrocitrate bound
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group NTC is 62.00% similar to enzyme reactant citrate
1nit
Crystal structure of aconitase with trans-aconitate and nitrocitrate bound
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
2b3x
Structure of an orthorhombic crystal form of human cytosolic (irp1)
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
Chain: A (888 residues) CATH domains: Unassigned 3.40.1060.10 Unassigned Unassigned 3.20.19.10
2b3y
Structure of a monoclinic crystal form of human cytosolic ac (irp1)
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 562.
Chains: A, B (888 residues) CATH domains: Unassigned 3.40.1060.10 Unassigned Unassigned 3.20.19.10
2ipy
Crystal structure of iron regulatory protein 1 in complex wi ferritin h ire-RNA
Source: Synthetic: yes. Oryctolagus cuniculus. Rabbit. Organism_taxid: 9986
Chains: A, B (847 residues) CATH domains: Unassigned Unassigned 3.20.19.10
3sn2
Crystal structure analysis of iron regulatory protein 1 in c with transferrin receptor ire b RNA
Source: Oryctolagus cuniculus. Rabbit. Organism_taxid: 9986. Gene: aco1, frp, ireb1, irebp, irp1. Expressed in: saccharomyces cerevisiae. Expression_system_taxid: 4932. Synthetic: yes
Chain: A (848 residues) CATH domains: Unassigned Unassigned 3.20.19.10
3snp
Crystal structure analysis of iron regulatory protein 1 in c with ferritin h ire RNA
Source: Oryctolagus cuniculus. Rabbit. Organism_taxid: 9986. Gene: aco1, frp, ireb1, irebp, irp1. Expressed in: saccharomyces cerevisiae. Expression_system_taxid: 4932. Synthetic: yes
Chains: A, B (850 residues) CATH domains: Unassigned Unassigned 3.20.19.10
5acn
Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal
Source: Sus scrofa. Pig. Organism_taxid: 9823
Chain: A (754 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group TRC is 92.00% similar to enzyme reactant citrate
6acn
Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal
Source: Sus scrofa. Pig. Organism_taxid: 9823
Chain: A (754 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group TRC is 92.00% similar to enzyme reactant citrate
7acn
Crystal structures of aconitase with isocitrate and nitroisocitrate bound
Source: Sus scrofa. Pig. Organism_taxid: 9823
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group ICT corresponds to enzyme product Isocitrate
8acn
Crystal structures of aconitase with isocitrate and nitroisocitrate bound
Source: Bos taurus. Cattle. Organism_taxid: 9913
Chain: A (753 residues) CATH domains: 3.30.499.10 3.40.1060.10 3.30.499.10 3.20.19.10
Bound ligand:   Het Group NIC is 62.00% similar to enzyme product Isocitrate