1TPB

OFFSET OF A CATALYTIC LESION BY A BOUND WATER SOLUBLE

Functional Information from GO Data

Chain	GOid	namespace	contents
1	0004807	molecular_function	triose-phosphate isomerase activity
1	0005737	cellular_component	cytoplasm
1	0005829	cellular_component	cytosol
1	0006006	biological_process	glucose metabolic process
1	0006094	biological_process	gluconeogenesis
1	0006096	biological_process	glycolytic process
1	0008929	molecular_function	methylglyoxal synthase activity
1	0016829	molecular_function	lyase activity
1	0016853	molecular_function	isomerase activity
1	0019242	biological_process	methylglyoxal biosynthetic process
1	0019563	biological_process	glycerol catabolic process
1	0019682	biological_process	glyceraldehyde-3-phosphate metabolic process
1	0031625	molecular_function	ubiquitin protein ligase binding
1	0042803	molecular_function	protein homodimerization activity
1	0046166	biological_process	glyceraldehyde-3-phosphate biosynthetic process
1	0061621	biological_process	canonical glycolysis
2	0004807	molecular_function	triose-phosphate isomerase activity
2	0005737	cellular_component	cytoplasm
2	0005829	cellular_component	cytosol
2	0006006	biological_process	glucose metabolic process
2	0006094	biological_process	gluconeogenesis
2	0006096	biological_process	glycolytic process
2	0008929	molecular_function	methylglyoxal synthase activity
2	0016829	molecular_function	lyase activity
2	0016853	molecular_function	isomerase activity
2	0019242	biological_process	methylglyoxal biosynthetic process
2	0019563	biological_process	glycerol catabolic process
2	0019682	biological_process	glyceraldehyde-3-phosphate metabolic process
2	0031625	molecular_function	ubiquitin protein ligase binding
2	0042803	molecular_function	protein homodimerization activity
2	0046166	biological_process	glyceraldehyde-3-phosphate biosynthetic process
2	0061621	biological_process	canonical glycolysis

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details

Chain	Residue
1	ASP165
1	HIS95
1	SER96
1	LYS13

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site_id	AC2
Number of Residues	4
Details

Chain	Residue
2	ASP165
2	HIS95
2	SER96
2	LYS13

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site_id	AC3
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PGH 1 250

Chain	Residue
1	HIS95
1	ASP165
1	ALA169
1	ILE170
1	GLY171
1	SER211
1	LEU230
1	GLY232
1	GLY233
1	HOH365
1	HOH376
1	HOH401
1	LYS13

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site_id	AC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PGH 2 250

Chain	Residue
2	LYS13
2	HIS95
2	ASP165
2	ALA169
2	ILE170
2	GLY171
2	GLY210
2	SER211
2	LEU230
2	GLY232
2	GLY233
2	HOH444
2	HOH445
2	HOH446
2	HOH528

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Electrophile => ECO:0000269|PubMed:8130195, ECO:0007744|PDB:1TPH

Chain	Residue	Details
1	SER96
2	SER96

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site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Proton acceptor => ECO:0000269|PubMed:8130195, ECO:0007744|PDB:1TPH

Chain	Residue	Details
1	PRO166
2	PRO166

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site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:8130195, ECO:0007744|PDB:1TPH

Chain	Residue	Details
1	TRP12
1	MET14
2	TRP12
2	MET14

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	7
Details	M-CSA 324

Chain	Residue	Details
1	TRP12	electrostatic stabiliser
1	MET14	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay
1	SER96	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
1	ARG98	proton acceptor, proton donor, steric role
1	PRO166	activator, proton acceptor, proton donor
1	THR172	electrostatic stabiliser
1	VAL212	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA2
Number of Residues	7
Details	M-CSA 324

Chain	Residue	Details
2	MET14	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor, proton relay
2	SER96	activator, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
2	ARG98	proton acceptor, proton donor, steric role
2	PRO166	activator, proton acceptor, proton donor
2	THR172	electrostatic stabiliser
2	VAL212	electrostatic stabiliser, hydrogen bond donor
2	TRP12	electrostatic stabiliser

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