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
1NXEA 6CTSA 4JAEA 2IBPA 4CSCA 1AJ8A 1CSRA 1AL6A 1CTSA 2CTSA 1OWCA 2R9EA 4CTSA 4YBOA 1IXEA 4G6BA 4JAFA 5CSCB 1OWBA 2H12A 3CSCA 1NXGA 3HWKA 4JAGA 1O7XA 1CSSA 2R26A 2CSCA 4JADA 3TQGA 4XGHA 1A59A 1CSHA 1CSIA 2C6XA 3O8JA 5CSCA 6CSCA 1IOMA 3ENJA 3MSUA 1AMZA 2IFCA 4E6YA 1CSCA 1VGPA 4TVMA 2P2WA 1VGMA 5CTSA
chains in the Genus database with same CATH superfamily
1NXEA 6CTSA 4JAEA 2IBPA 4CSCA 1AJ8A 1CSRA 1AL6A 1CTSA 2CTSA 1OWCA 2R9EA 4CTSA 4YBOA 1IXEA 4G6BA 4JAFA 5CSCB 1OWBA 2H12A 3CSCA 1NXGA 3HWKA 4JAGA 1O7XA 1CSSA 2R26A 2CSCA 4JADA 4XGHA 3TQGA 1A59A 1CSHA 1CSIA 2C6XA 3O8JA 5CSCA 6CSCA 1IOMA 3ENJA 3MSUA 1AMZA 2IFCA 4E6YA 1CSCA 1VGPA 4TVMA 2P2WA 1VGMA 5CTSA
chains in the Genus database with same CATH topology
1NXEA 6CTSA 4JAEA 2IBPA 4CSCA 1AJ8A 1CSRA 1AL6A 1CTSA 2CTSA 1OWCA 2R9EA 4CTSA 4YBOA 1IXEA 4G6BA 4JAFA 5CSCB 1OWBA 2H12A 3CSCA 1NXGA 3HWKA 4JAGA 1O7XA 1CSSA 2R26A 2CSCA 4JADA 3TQGA 4XGHA 1A59A 1CSHA 1CSIA 2C6XA 3O8JA 5CSCA 6CSCA 1IOMA 3ENJA 3MSUA 1AMZA 2IFCA 4E6YA 1CSCA 1VGPA 4TVMA 2P2WA 1VGMA 5CTSA
chains in the Genus database with same CATH homology


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