6AT3

E. coli phosphoenolpyruvate carboxykinase Y207F mutant bound to thiosulfate and oxaloacetate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0003824	molecular_function	catalytic activity
A	0004611	molecular_function	phosphoenolpyruvate carboxykinase activity
A	0004612	molecular_function	phosphoenolpyruvate carboxykinase (ATP) activity
A	0005509	molecular_function	calcium ion binding
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006094	biological_process	gluconeogenesis
A	0016829	molecular_function	lyase activity
A	0016831	molecular_function	carboxy-lyase activity
A	0017076	molecular_function	purine nucleotide binding
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0000287	molecular_function	magnesium ion binding
B	0003824	molecular_function	catalytic activity
B	0004611	molecular_function	phosphoenolpyruvate carboxykinase activity
B	0004612	molecular_function	phosphoenolpyruvate carboxykinase (ATP) activity
B	0005509	molecular_function	calcium ion binding
B	0005524	molecular_function	ATP binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006094	biological_process	gluconeogenesis
B	0016829	molecular_function	lyase activity
B	0016831	molecular_function	carboxy-lyase activity
B	0017076	molecular_function	purine nucleotide binding
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue OAA A 601

Chain	Residue
A	ARG65
A	PHE207
A	LYS213
A	HIS232
A	SER250
A	ARG333

---

site_id	AC2
Number of Residues	8
Details	binding site for residue THJ A 602

Chain	Residue
A	LYS254
A	THR255
A	THR256
A	HOH908
A	HOH931
A	GLY251
A	THR252
A	GLY253

---

site_id	AC3
Number of Residues	6
Details	binding site for residue THJ B 601

Chain	Residue
A	LYS346
A	PRO347
B	ARG74
B	ARG79
B	HOH852
B	HOH863

---

site_id	AC4
Number of Residues	9
Details	binding site for residue THJ B 602

Chain	Residue
B	ARG65
B	LYS213
B	HIS232
B	LEU249
B	SER250
B	ASP269
B	ARG333
B	PHE413
B	HOH942

---

site_id	AC5
Number of Residues	8
Details	binding site for residue THJ B 603

Chain	Residue
B	SER250
B	GLY251
B	THR252
B	GLY253
B	LYS254
B	THR255
B	THR256
B	HOH995

---

Functional Information from PROSITE/UniProt

site_id	PS00532
Number of Residues	16
Details	PEPCK_ATP Phosphoenolpyruvate carboxykinase (ATP) signature. LIGDDEHgWdDdGVfN

Chain	Residue	Details
A	LEU265-ASN280

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00453, ECO:0000269|PubMed:11724534

Chain	Residue	Details
A	ARG65
A	PHE207
A	LYS213
A	ARG333
B	ARG65
B	PHE207
B	LYS213
B	ARG333

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: BINDING => ECO:0000250

Chain	Residue	Details
A	LYS149
A	ASN150
A	PHE152
A	GLY283
B	LYS149
B	ASN150
B	PHE152
B	GLY283

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00453, ECO:0000269|Ref.21

Chain	Residue	Details
A	HIS232
A	ASP269
B	HIS232
B	ASP269

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00453, ECO:0000269|PubMed:12837799, ECO:0000269|PubMed:17475535, ECO:0000269|PubMed:8599762, ECO:0000269|PubMed:9406547, ECO:0000269|Ref.20, ECO:0000269|Ref.21

Chain	Residue	Details
A	GLY248
A	GLU297
A	ARG449
A	THR455
B	GLY248
B	GLU297
B	ARG449
B	THR455

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000255|HAMAP-Rule:MF_00453, ECO:0000269|PubMed:18723842

Chain	Residue	Details
A	LYS87
A	LYS523
B	LYS87
B	LYS523

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	8
Details	M-CSA 51

Chain	Residue	Details
A	ARG65	electrostatic stabiliser, increase electrophilicity
A	LYS213	metal ligand
A	HIS232	electrostatic stabiliser, hydrogen bond donor, metal ligand
A	SER250	steric role
A	LYS254	electrostatic stabiliser, hydrogen bond donor
A	THR255	metal ligand
A	ASP269	metal ligand
A	ARG333	electrostatic stabiliser, hydrogen bond donor

---

site_id	MCSA2
Number of Residues	8
Details	M-CSA 51

Chain	Residue	Details
B	ARG65	electrostatic stabiliser, increase electrophilicity
B	LYS213	metal ligand
B	HIS232	electrostatic stabiliser, hydrogen bond donor, metal ligand
B	SER250	steric role
B	LYS254	electrostatic stabiliser, hydrogen bond donor
B	THR255	metal ligand
B	ASP269	metal ligand
B	ARG333	electrostatic stabiliser, hydrogen bond donor

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