2QB3

Structural Studies Reveal the Inactivation of E. coli L-Aspartate Aminotransferase by (s)-4,5-dihydro-2-thiophenecarboxylic acid (SADTA) via Two Mechanisms (at pH 7.5)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004069	molecular_function	L-aspartate:2-oxoglutarate aminotransferase activity
A	0004838	molecular_function	L-tyrosine-2-oxoglutarate transaminase activity
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006520	biological_process	amino acid metabolic process
A	0008483	molecular_function	transaminase activity
A	0009058	biological_process	biosynthetic process
A	0009094	biological_process	L-phenylalanine biosynthetic process
A	0016740	molecular_function	transferase activity
A	0030170	molecular_function	pyridoxal phosphate binding
A	0033585	biological_process	L-phenylalanine biosynthetic process from chorismate via phenylpyruvate
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 801

Chain	Residue
A	PRO72
A	ARG76
A	HOH887

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 802

Chain	Residue
A	LYS134
A	ASN138
A	GLU143
A	VAL144
A	ARG145

---

site_id	AC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE PSZ A 600

Chain	Residue
A	GLY34
A	TYR65
A	GLY103
A	THR104
A	TRP130
A	ASN183
A	ASP211
A	TYR214
A	SER243
A	SER245
A	KST246
A	ARG254
A	PHE348
A	ARG374
A	GOL707
A	HOH808
A	HOH967
A	ILE33

---

site_id	AC4
Number of Residues	12
Details	BINDING SITE FOR RESIDUE PMP A 700

Chain	Residue
A	TYR65
A	GLY103
A	THR104
A	TRP130
A	ASN183
A	ASP211
A	TYR214
A	SER243
A	SER245
A	KST246
A	ARG254
A	HOH808

---

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL A 701

Chain	Residue
A	GLY216
A	GLY220
A	LEU221
A	GLU308
A	LEU311
A	THR312
A	ARG315
A	HOH1081

---

site_id	AC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 702

Chain	Residue
A	TYR36
A	THR43
A	PRO44
A	LEU46
A	KST246
A	GLY249
A	TYR251
A	MET314
A	HOH978

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE GOL A 703

Chain	Residue
A	PRO72
A	GLY75
A	ARG76
A	GLN79
A	ALA95
A	ARG96
A	THR97
A	HOH803
A	HOH873
A	HOH1099
A	HOH1154

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 704

Chain	Residue
A	ARG315
A	GLN316
A	GLN319
A	HOH964

---

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 705

Chain	Residue
A	TYR55
A	THR296
A	ASN300
A	HOH958
A	HOH1060
A	HOH1115
A	HOH1201

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 706

Chain	Residue
A	GLY41
A	THR381
A	HOH984
A	HOH1052
A	HOH1148
A	HOH1204

---

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 707

Chain	Residue
A	ILE33
A	TYR65
A	KST246
A	ARG280
A	ASN285
A	PSZ600
A	HOH808
A	HOH863
A	HOH1022

---

Functional Information from PROSITE/UniProt

site_id	PS00105
Number of Residues	14
Details	AA_TRANSFER_CLASS_1 Aminotransferases class-I pyridoxal-phosphate attachment site. SYSKnfGLyNERVG

Chain	Residue	Details
A	SER243-GLY256

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1ART","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QPG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DBC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1AIB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ART","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QPG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DBC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1AIB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ART","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SPA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QPG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DBC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PDB","id":"1AHG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AIB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ARG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ART","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QPG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4DBC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"N6-(pyridoxal phosphate)lysine","evidences":[{"source":"PubMed","id":"11148029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"1993208","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3298240","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9891001","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AAW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AHE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AHF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AHX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1AHY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ARI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ARS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1ASN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1B4X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CZE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1G4V","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1G4X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1G7W","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1G7X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IX6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IX7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1IX8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QIR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QIS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QIT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1YOO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D5Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D61","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2D7Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3AAT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZZJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5EAA","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1ay4

Chain	Residue	Details
A	ASP211
A	TRP130

---

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1ay4

Chain	Residue	Details
A	ILE68

---

site_id	MCSA1
Number of Residues	3
Details	M-CSA 777

Chain	Residue	Details
A	TRP130	steric role
A	ASP211	proton shuttle (general acid/base)
A	KST246	proton shuttle (general acid/base)

---