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


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

 
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#similar chains, but unknotted
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