8U0Q

Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004148	molecular_function	dihydrolipoyl dehydrogenase (NADH) activity
A	0004591	molecular_function	oxoglutarate dehydrogenase (succinyl-transferring) activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006103	biological_process	2-oxoglutarate metabolic process
A	0015036	molecular_function	disulfide oxidoreductase activity
A	0016209	molecular_function	antioxidant activity
A	0016491	molecular_function	oxidoreductase activity
A	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
A	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
A	0035375	molecular_function	zymogen binding
A	0045254	cellular_component	pyruvate dehydrogenase complex
A	0045454	biological_process	cell redox homeostasis
A	0050660	molecular_function	flavin adenine dinucleotide binding
A	0070404	molecular_function	NADH binding
A	0098869	biological_process	cellular oxidant detoxification
B	0004148	molecular_function	dihydrolipoyl dehydrogenase (NADH) activity
B	0004591	molecular_function	oxoglutarate dehydrogenase (succinyl-transferring) activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006103	biological_process	2-oxoglutarate metabolic process
B	0015036	molecular_function	disulfide oxidoreductase activity
B	0016209	molecular_function	antioxidant activity
B	0016491	molecular_function	oxidoreductase activity
B	0016655	molecular_function	oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor
B	0016668	molecular_function	oxidoreductase activity, acting on a sulfur group of donors, NAD(P) as acceptor
B	0035375	molecular_function	zymogen binding
B	0045254	cellular_component	pyruvate dehydrogenase complex
B	0045454	biological_process	cell redox homeostasis
B	0050660	molecular_function	flavin adenine dinucleotide binding
B	0070404	molecular_function	NADH binding
B	0098869	biological_process	cellular oxidant detoxification

Functional Information from PROSITE/UniProt

site_id	PS00076
Number of Residues	11
Details	PYRIDINE_REDOX_1 Pyridine nucleotide-disulphide oxidoreductases class-I active site. GGvCLnvGCIP

Chain	Residue	Details
A	GLY38-PRO48

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	22
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16093239","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20078138","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	18
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---