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


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