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IDENTIFICATION OF CATALYTICALLY IMPORTANT RESIDUES IN YEAST TRANSKETOLASE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0004802	molecular_function	transketolase activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006098	biological_process	pentose-phosphate shunt
A	0006163	biological_process	purine nucleotide metabolic process
A	0016740	molecular_function	transferase activity
A	0046872	molecular_function	metal ion binding
B	0003824	molecular_function	catalytic activity
B	0004802	molecular_function	transketolase activity
B	0005515	molecular_function	protein binding
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006098	biological_process	pentose-phosphate shunt
B	0006163	biological_process	purine nucleotide metabolic process
B	0016740	molecular_function	transferase activity
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 681

Chain	Residue
A	ASP157
A	ASN187
A	ILE189
A	TPP682

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA B 681

Chain	Residue
B	ASP157
B	ASN187
B	ILE189
B	TPP682

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE TPP A 682

Chain	Residue
A	HIS69
A	GLY116
A	PRO117
A	LEU118
A	GLY156
A	ASP157
A	GLY158
A	GLU162
A	ASN187
A	ILE189
A	THR190
A	ILE191
A	CA681
B	ASP382
B	ILE416
B	GLU418
B	PHE445
B	TYR448
B	HIS481
A	ALA33

---

site_id	AC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE TPP B 682

Chain	Residue
A	ASP382
A	GLU418
A	PHE445
A	TYR448
B	HIS69
B	GLY116
B	PRO117
B	LEU118
B	GLY156
B	ASP157
B	GLY158
B	GLU162
B	ASP185
B	ASN187
B	ILE189
B	THR190
B	ILE191
B	CA681

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Functional Information from PROSITE/UniProt

site_id	PS00801
Number of Residues	21
Details	TRANSKETOLASE_1 Transketolase signature 1. RilaVDtvskanSGHPGapLG

Chain	Residue	Details
A	ARG16-GLY36

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site_id	PS00802
Number of Residues	17
Details	TRANSKETOLASE_2 Transketolase signature 2. GEDGPTHqPIEtlAhfR

Chain	Residue	Details
A	GLY475-ARG491

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Proton donor => ECO:0000305

Chain	Residue	Details
A	HIS419
B	HIS419

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site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING:

Chain	Residue	Details
A	PRO31
B	GLY158
B	THR190
B	LYS360
B	ASN387
B	ASP470
B	GLY478
B	GLN529
A	GLY158
A	THR190
A	LYS360
A	ASN387
A	ASP470
A	GLY478
A	GLN529
B	PRO31

---

site_id	SWS_FT_FI3
Number of Residues	14
Details	BINDING: BINDING => ECO:0000269|PubMed:8176731, ECO:0000269|PubMed:8999873, ECO:0000269|PubMed:9398292

Chain	Residue	Details
A	ALA70
B	CYS159
B	LYS188
B	GLY264
B	HIS419
B	VAL446
A	PRO117
A	CYS159
A	LYS188
A	GLY264
A	HIS419
A	VAL446
B	ALA70
B	PRO117

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Important for catalytic activity => ECO:0000269|PubMed:9398292

Chain	Residue	Details
A	PRO31
A	GLY264
B	PRO31
B	GLY264

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:19779198

Chain	Residue	Details
A	PHE287
B	PHE287

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site_id	SWS_FT_FI6
Number of Residues	2
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:17330950, ECO:0007744|PubMed:18407956, ECO:0007744|PubMed:19779198

Chain	Residue	Details
A	GLY336
B	GLY336

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18407956

Chain	Residue	Details
A	GLY403
A	LEU493
B	GLY403
B	LEU493

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site_id	SWS_FT_FI8
Number of Residues	4
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0007744|PubMed:22106047

Chain	Residue	Details
A	PHE648
B	PHE648

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 219

Chain	Residue	Details
A	PRO31	activator, hydrogen bond donor, steric role
A	GLY264	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	HIS419	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLN482	electrostatic stabiliser, hydrogen bond acceptor

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site_id	MCSA2
Number of Residues	4
Details	M-CSA 219

Chain	Residue	Details
B	PRO31	activator, hydrogen bond donor, steric role
B	GLY264	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	HIS419	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	GLN482	electrostatic stabiliser, hydrogen bond acceptor

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