1D2H

CRYSTAL STRUCTURE OF R175K MUTANT GLYCINE N-METHYLTRANSFERASE COMPLEXED WITH S-ADENOSYLHOMOCYSTEINE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005542	molecular_function	folic acid binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0005977	biological_process	glycogen metabolic process
A	0006111	biological_process	regulation of gluconeogenesis
A	0006544	biological_process	glycine metabolic process
A	0006555	biological_process	methionine metabolic process
A	0006730	biological_process	one-carbon metabolic process
A	0008168	molecular_function	methyltransferase activity
A	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
A	0016594	molecular_function	glycine binding
A	0016740	molecular_function	transferase activity
A	0017174	molecular_function	glycine N-methyltransferase activity
A	0032259	biological_process	methylation
A	0034708	cellular_component	methyltransferase complex
A	0042802	molecular_function	identical protein binding
A	0046498	biological_process	S-adenosylhomocysteine metabolic process
A	0046500	biological_process	S-adenosylmethionine metabolic process
A	0051289	biological_process	protein homotetramerization
A	0098603	molecular_function	selenol Se-methyltransferase activity
A	0170033	biological_process	L-amino acid metabolic process
A	0170039	biological_process	proteinogenic amino acid metabolic process
A	1901052	biological_process	sarcosine metabolic process
A	1904047	molecular_function	S-adenosyl-L-methionine binding
B	0005542	molecular_function	folic acid binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0005977	biological_process	glycogen metabolic process
B	0006111	biological_process	regulation of gluconeogenesis
B	0006544	biological_process	glycine metabolic process
B	0006555	biological_process	methionine metabolic process
B	0006730	biological_process	one-carbon metabolic process
B	0008168	molecular_function	methyltransferase activity
B	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
B	0016594	molecular_function	glycine binding
B	0016740	molecular_function	transferase activity
B	0017174	molecular_function	glycine N-methyltransferase activity
B	0032259	biological_process	methylation
B	0034708	cellular_component	methyltransferase complex
B	0042802	molecular_function	identical protein binding
B	0046498	biological_process	S-adenosylhomocysteine metabolic process
B	0046500	biological_process	S-adenosylmethionine metabolic process
B	0051289	biological_process	protein homotetramerization
B	0098603	molecular_function	selenol Se-methyltransferase activity
B	0170033	biological_process	L-amino acid metabolic process
B	0170039	biological_process	proteinogenic amino acid metabolic process
B	1901052	biological_process	sarcosine metabolic process
B	1904047	molecular_function	S-adenosyl-L-methionine binding
C	0005542	molecular_function	folic acid binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0005977	biological_process	glycogen metabolic process
C	0006111	biological_process	regulation of gluconeogenesis
C	0006544	biological_process	glycine metabolic process
C	0006555	biological_process	methionine metabolic process
C	0006730	biological_process	one-carbon metabolic process
C	0008168	molecular_function	methyltransferase activity
C	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
C	0016594	molecular_function	glycine binding
C	0016740	molecular_function	transferase activity
C	0017174	molecular_function	glycine N-methyltransferase activity
C	0032259	biological_process	methylation
C	0034708	cellular_component	methyltransferase complex
C	0042802	molecular_function	identical protein binding
C	0046498	biological_process	S-adenosylhomocysteine metabolic process
C	0046500	biological_process	S-adenosylmethionine metabolic process
C	0051289	biological_process	protein homotetramerization
C	0098603	molecular_function	selenol Se-methyltransferase activity
C	0170033	biological_process	L-amino acid metabolic process
C	0170039	biological_process	proteinogenic amino acid metabolic process
C	1901052	biological_process	sarcosine metabolic process
C	1904047	molecular_function	S-adenosyl-L-methionine binding
D	0005542	molecular_function	folic acid binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0005977	biological_process	glycogen metabolic process
D	0006111	biological_process	regulation of gluconeogenesis
D	0006544	biological_process	glycine metabolic process
D	0006555	biological_process	methionine metabolic process
D	0006730	biological_process	one-carbon metabolic process
D	0008168	molecular_function	methyltransferase activity
D	0008757	molecular_function	S-adenosylmethionine-dependent methyltransferase activity
D	0016594	molecular_function	glycine binding
D	0016740	molecular_function	transferase activity
D	0017174	molecular_function	glycine N-methyltransferase activity
D	0032259	biological_process	methylation
D	0034708	cellular_component	methyltransferase complex
D	0042802	molecular_function	identical protein binding
D	0046498	biological_process	S-adenosylhomocysteine metabolic process
D	0046500	biological_process	S-adenosylmethionine metabolic process
D	0051289	biological_process	protein homotetramerization
D	0098603	molecular_function	selenol Se-methyltransferase activity
D	0170033	biological_process	L-amino acid metabolic process
D	0170039	biological_process	proteinogenic amino acid metabolic process
D	1901052	biological_process	sarcosine metabolic process
D	1904047	molecular_function	S-adenosyl-L-methionine binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SAH A 1301

Chain	Residue
A	ASP85
A	ALA86
A	SER87
A	MET90
A	ASN116
A	TRP117
A	SER139
A	HIS142

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SAH B 2301

Chain	Residue
B	VAL69
B	ASP85
B	SER87
B	MET90
B	ASN116
B	TRP117
B	SER139
B	ALA64

---

site_id	AC3
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SAH C 3301

Chain	Residue
C	THR67
C	ASP85
C	ALA86
C	SER87
C	MET90
C	ALA115
C	ASN116
C	TRP117
C	SER139
C	TYR194

---

site_id	AC4
Number of Residues	10
Details	BINDING SITE FOR RESIDUE SAH D 4301

Chain	Residue
D	ASP85
D	ALA86
D	SER87
D	MET90
D	ASN116
D	TRP117
D	GLY137
D	SER139
D	HIS142
D	HOH4370

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:22037183, ECO:0000312|PDB:3THR, ECO:0000312|PDB:3THS

Chain	Residue	Details
A	SER3
D	SER3
D	HIS214
D	ARG239
A	HIS214
A	ARG239
B	SER3
B	HIS214
B	ARG239
C	SER3
C	HIS214
C	ARG239

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:22037183, ECO:0000312|PDB:3THS

Chain	Residue	Details
A	TYR5
B	TYR5
C	TYR5
D	TYR5

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:12859184, ECO:0007744|PDB:1NBH

Chain	Residue	Details
A	TYR21
B	TYR21
C	TYR21
D	TYR21

---

site_id	SWS_FT_FI4
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:12859184, ECO:0007744|PDB:1NBH, ECO:0007744|PDB:1NBI

Chain	Residue	Details
A	TRP30
C	ARG40
C	ASP85
C	ASN116
D	TRP30
D	ARG40
D	ASP85
D	ASN116
A	ARG40
A	ASP85
A	ASN116
B	TRP30
B	ARG40
B	ASP85
B	ASN116
C	TRP30

---

site_id	SWS_FT_FI5
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:8810903, ECO:0007744|PDB:1XVA

Chain	Residue	Details
A	TYR33
D	TYR33
D	LYS175
D	TYR220
A	LYS175
A	TYR220
B	TYR33
B	LYS175
B	TYR220
C	TYR33
C	LYS175
C	TYR220

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:12859184, ECO:0000269|PubMed:8810903, ECO:0000312|PDB:1XVA, ECO:0007744|PDB:1NBH, ECO:0007744|PDB:1NBI

Chain	Residue	Details
A	ALA64
B	ALA64
C	ALA64
D	ALA64

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	BINDING: BINDING => ECO:0000269|PubMed:12859184, ECO:0000269|PubMed:8810903, ECO:0007744|PDB:1NBI, ECO:0007744|PDB:1XVA

Chain	Residue	Details
A	LEU136
B	LEU136
C	LEU136
D	LEU136

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: N-acetylvaline => ECO:0000269|PubMed:2822402

Chain	Residue	Details
A	VAL1
B	VAL1
C	VAL1
D	VAL1

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q9QXF8

Chain	Residue	Details
A	SER9
B	SER9
C	SER9
D	SER9

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q9QXF8

Chain	Residue	Details
A	TYR33
B	TYR33
C	TYR33
D	TYR33

---

site_id	SWS_FT_FI11
Number of Residues	16
Details	MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q9QXF8

Chain	Residue	Details
A	LYS45
C	LYS190
C	LYS195
C	LYS200
D	LYS45
D	LYS190
D	LYS195
D	LYS200
A	LYS190
A	LYS195
A	LYS200
B	LYS45
B	LYS190
B	LYS195
B	LYS200
C	LYS45

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 23

Chain	Residue	Details
A	GLY137	electrostatic stabiliser, hydrogen bond acceptor
A	HIS142	activator
A	LYS175	electrostatic stabiliser
A	TYR194	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 23

Chain	Residue	Details
B	GLY137	electrostatic stabiliser, hydrogen bond acceptor
B	HIS142	activator
B	LYS175	electrostatic stabiliser
B	TYR194	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 23

Chain	Residue	Details
C	GLY137	electrostatic stabiliser, hydrogen bond acceptor
C	HIS142	activator
C	LYS175	electrostatic stabiliser
C	TYR194	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor

---

site_id	MCSA4
Number of Residues	4
Details	M-CSA 23

Chain	Residue	Details
D	GLY137	electrostatic stabiliser, hydrogen bond acceptor
D	HIS142	activator
D	LYS175	electrostatic stabiliser
D	TYR194	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor

---