Affinity Data by PDB ID

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PDB code 1HXD

Identical Ligands in BindingDB

Found 5 hits Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BirA Bifunctional Protein Mutant (V219A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.8	38.9	-81.1	7.42	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (V214A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.4	40.1	-81.5	7.42	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein (321/321 = 100%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.3	38.9	-80.3	7.38	7.5	20
University of Maryland		DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		Biochemistry 44: 3112-21 (2005)
BirA Bifunctional Protein (321/321 = 100%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.1	39.3	-81.1	7.37	7.5	20
University of Maryland College Park		DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (W223A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.0	41.0	-81.9	7.33	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)

Similar Ligands in BindingDB^*

Found 5 hits Isothermal Titration Calorimetry Data
Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
BirA Bifunctional Protein Mutant (V219A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.8	38.9	-81.1	7.42	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (V214A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.4	40.1	-81.5	7.42	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein (321/321 = 100%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.3	38.9	-80.3	7.38	7.5	20
University of Maryland		DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		Biochemistry 44: 3112-21 (2005)
BirA Bifunctional Protein (321/321 = 100%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.1	39.3	-81.1	7.37	7.5	20
University of Maryland College Park		DrugBank GoogleScholar KEGG PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)
BirA Bifunctional Protein Mutant (W223A) (320/321 > 99%)^† (Escherichia coli)	BDBM12 (5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]im...)	GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		-41.0	41.0	-81.9	7.33	7.5	20
University of Maryland College Park		GoogleScholar PDB	CHEBI DrugBank KEGG MMDB PC cid PC sid PDB		J Mol Biol 373: 96-111 (2007)

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Change energy units to: kcal/mole

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output