1CSSA

Alpha-fluoro acid and alpha-fluoro amide analogs of acetyl-coa as inhibitors of of citrate synthase: effect of pka matching on binding affinity and hydrogen bond length
Total Genus 162
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The genus trace: a function that shows values of genus (vertical axis) for subchains spanned between the first residue, and all other residues (shown on horizontal axis). The number of the latter residue and the genus of a given subchain are shown interactively.

Total Genus
162
sequence length
435
structure length
435
Chain Sequence
STNLKDVLASLIPKEQARIKTFRQQHGNTAVGQITVDMSYGGMRGMKGLIYETSVLDPDEGIRFRGFSIPECQKLLPKAGGGEEPLPEGLFWLLVTGQIPTPEQVSWVSKEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAITALNSESNFARAYAEGINRTKYWEFVYEDAMDLIAKLPCVAAKIYRNLYRAGSSIGAIDSKLDWSHNFTNMLGYTDPQFTELMRLYLTIHSDHEGGNVSAHTSHLVGSALSDPYLSFAAAMNGLAGPLHGLANQEVLLWLSQLQKDLGADASDEKLRDYIWNTLNSGRVVPGYGHAVLRKTDPRYTCQREFALKHLPSDPMFKLVAQLYKIVPNVLLEQGKAKNPWPNVDAHSGVLLQYYGMTEMNYYTVLFGVSRALGVLAQLIWSRALGFPLERPKSMSTAGLEKLSAGG
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The genus matrix. At position (x,y) a genus value for a subchain spanned between x’th and y’th residue is shown. Values of the genus are represented by color, according to the scale given on the right.

Structure visualization

After clicking on a point (x,y) in the genus matrix above, a subchain from x to y is shown in color.

Chord Diagram
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publication title alpha-Fluoro acid and alpha-fluoro amide analogs of acetyl-CoA as inhibitors of citrate synthase: effect of pKa matching on binding affinity and hydrogen bond length.
pubmed doi rcsb
molecule keywords CITRATE SYNTHASE
molecule tags Oxo-acid-lyase
total genus 162
structure length 435
sequence length 435
ec nomenclature ec 2.3.3.1: Citrate (Si)-synthase.
pdb deposition date 1995-08-04

pfam database annotations

chain Pfam Accession Code Pfam Family Identifier Pfam Description
A PF00285 Citrate_synt Citrate synthase, C-terminal domain
Image from the rcsb pdb (www.rcsb.org)
cath code
ClassArchitectureTopologyHomologyDomain
1.10.230.10 Mainly Alpha Orthogonal Bundle Cytochrome p450-Terp; domain 2 Cytochrome P450-Terp, domain 2 1cssA02
1.10.580.10 Mainly Alpha Orthogonal Bundle Citrate Synthase; domain 1 Citrate Synthase, domain 1 1cssA01
2CTSA 1OWCA 4JADA 4CSCA 2CSCA 4G6BA 2R9EA 2H12A 2IBPA 3MSUA 1CTSA 1AJ8A 1CSSA 3ENJA 4YBOA 1CSRA 1NXGA 1AL6A 2R26A 3O8JA 4JAEA 6CSCA 5CTSA 1IXEA 4XGHA 5CSCB 5CSCA 1OWBA 4JAFA 4TVMA 1VGMA 2C6XA 6CTSA 1IOMA 1CSIA 2P2WA 1AMZA 2IFCA 1CSHA 4CTSA 1CSCA 1VGPA 1O7XA 1A59A 4E6YA 3TQGA 1NXEA 3HWKA 3CSCA 4JAGA
chains in the Genus database with same CATH superfamily
2CTSA 1OWCA 4JADA 4CSCA 2CSCA 4G6BA 2R9EA 2H12A 2IBPA 3MSUA 1CTSA 1AJ8A 1CSSA 3ENJA 4YBOA 1CSRA 1NXGA 1AL6A 2R26A 3O8JA 4JAEA 4XGHA 5CTSA 1IXEA 6CSCA 5CSCB 5CSCA 1OWBA 4JAFA 4TVMA 1VGMA 2C6XA 6CTSA 1IOMA 1CSIA 2P2WA 1AMZA 2IFCA 1CSHA 4CTSA 1CSCA 1VGPA 1O7XA 1A59A 4E6YA 3TQGA 1NXEA 3HWKA 3CSCA 4JAGA
chains in the Genus database with same CATH topology
2CTSA 1OWCA 4JADA 4CSCA 2CSCA 4G6BA 2R9EA 2H12A 2IBPA 3MSUA 1CTSA 1AJ8A 1CSSA 3ENJA 4YBOA 1CSRA 1NXGA 1AL6A 2R26A 3O8JA 4JAEA 6CSCA 5CTSA 1IXEA 4XGHA 5CSCB 5CSCA 1OWBA 4JAFA 4TVMA 1VGMA 2C6XA 6CTSA 1IOMA 1CSIA 2P2WA 1AMZA 2IFCA 1CSHA 4CTSA 1CSCA 1VGPA 1O7XA 1A59A 4E6YA 3TQGA 1NXEA 3HWKA 3CSCA 4JAGA
chains in the Genus database with same CATH homology


 
#chains in the Genus database with same CATH superfamily
 2CTS A;  1OWC A;  4JAD A;  4CSC A;  2CSC A;  4G6B A;  2R9E A;  2H12 A;  2IBP A;  3MSU A;  1CTS A;  1AJ8 A;  1CSS A;  3ENJ A;  4YBO A;  1CSR A;  1NXG A;  1AL6 A;  2R26 A;  3O8J A;  4JAE A;  6CSC A;  5CTS A;  1IXE A;  4XGH A;  5CSC B;  5CSC A;  1OWB A;  4JAF A;  4TVM A;  1VGM A;  2C6X A;  6CTS A;  1IOM A;  1CSI A;  2P2W A;  1AMZ A;  2IFC A;  1CSH A;  4CTS A;  1CSC A;  1VGP A;  1O7X A;  1A59 A;  4E6Y A;  3TQG A;  1NXE A;  3HWK A;  3CSC A;  4JAG A; 
#chains in the Genus database with same CATH topology
 2CTS A;  1OWC A;  4JAD A;  4CSC A;  2CSC A;  4G6B A;  2R9E A;  2H12 A;  2IBP A;  3MSU A;  1CTS A;  1AJ8 A;  1CSS A;  3ENJ A;  4YBO A;  1CSR A;  1NXG A;  1AL6 A;  2R26 A;  3O8J A;  4JAE A;  4XGH A;  5CTS A;  1IXE A;  6CSC A;  5CSC B;  5CSC A;  1OWB A;  4JAF A;  4TVM A;  1VGM A;  2C6X A;  6CTS A;  1IOM A;  1CSI A;  2P2W A;  1AMZ A;  2IFC A;  1CSH A;  4CTS A;  1CSC A;  1VGP A;  1O7X A;  1A59 A;  4E6Y A;  3TQG A;  1NXE A;  3HWK A;  3CSC A;  4JAG A; 
#chains in the Genus database with same CATH homology
 2CTS A;  1OWC A;  4JAD A;  4CSC A;  2CSC A;  4G6B A;  2R9E A;  2H12 A;  2IBP A;  3MSU A;  1CTS A;  1AJ8 A;  1CSS A;  3ENJ A;  4YBO A;  1CSR A;  1NXG A;  1AL6 A;  2R26 A;  3O8J A;  4JAE A;  6CSC A;  5CTS A;  1IXE A;  4XGH A;  5CSC B;  5CSC A;  1OWB A;  4JAF A;  4TVM A;  1VGM A;  2C6X A;  6CTS A;  1IOM A;  1CSI A;  2P2W A;  1AMZ A;  2IFC A;  1CSH A;  4CTS A;  1CSC A;  1VGP A;  1O7X A;  1A59 A;  4E6Y A;  3TQG A;  1NXE A;  3HWK A;  3CSC A;  4JAG A; 
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similar chains in the Genus database (?% sequence similarity)
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similar chains in the pdb database (?% sequence similarity)

 
#similar chains in the Genus database (?% sequence similarity)
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#similar chains, but unknotted
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