3GSI

Crystal structure of D552A dimethylglycine oxidase mutant of Arthrobacter globiformis in complex with tetrahydrofolate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0005829	cellular_component	cytosol
A	0016491	molecular_function	oxidoreductase activity
A	0047866	molecular_function	dimethylglycine oxidase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE THG A 2887

Chain	Residue
A	MET505
A	TYR660
A	TYR699
A	PHE719
A	HOH919
A	HOH1046
A	HOH1219
A	HOH1248
A	HOH1390
A	HOH1502
A	HOH1843
A	LEU508
A	TYR539
A	THR554
A	GLY566
A	TYR631
A	PHE632
A	TYR651
A	GLU658

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG A 901

Chain	Residue
A	ASP257
A	VAL412
A	HOH1243
A	HOH1244
A	HOH1245
A	HOH1246

---

site_id	AC3
Number of Residues	39
Details	BINDING SITE FOR RESIDUE FAD A 902

Chain	Residue
A	GLY11
A	GLY13
A	ILE14
A	VAL15
A	ASP35
A	GLN36
A	PRO42
A	GLY44
A	SER45
A	THR46
A	HIS48
A	ALA49
A	PRO50
A	GLY51
A	LEU52
A	THR172
A	VAL174
A	CYS202
A	ALA203
A	GLY204
A	TRP206
A	ILE210
A	HIS225
A	TYR259
A	GLY333
A	ILE334
A	PHE335
A	VAL360
A	TRP361
A	VAL362
A	THR363
A	HOH851
A	HOH854
A	HOH872
A	HOH909
A	HOH978
A	HOH1068
A	HOH1187
A	HOH1415

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000255

Chain	Residue	Details
A	HIS225
A	TYR259

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: For 5,10-methylenetetrahydrofolate synthesis activity => ECO:0000255

Chain	Residue	Details
A	ALA552

---

site_id	SWS_FT_FI3
Number of Residues	7
Details	BINDING: BINDING => ECO:0000269|PubMed:12912903, ECO:0000269|PubMed:19369258

Chain	Residue	Details
A	ILE14
A	ASP35
A	SER45
A	LEU52
A	VAL174
A	TYR259
A	VAL360

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:19369258

Chain	Residue	Details
A	TYR539

---

site_id	SWS_FT_FI5
Number of Residues	3
Details	BINDING:

Chain	Residue	Details
A	THR554
A	GLY566
A	GLU658

---

site_id	SWS_FT_FI6
Number of Residues	2
Details	SITE: Important for catalytic activity => ECO:0000269|PubMed:12912903

Chain	Residue	Details
A	HIS225
A	TYR259

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	SITE: Important for catalytic activity => ECO:0000269|PubMed:19369258, ECO:0000305|PubMed:12912903

Chain	Residue	Details
A	ALA552

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	MOD_RES: Pros-8alpha-FAD histidine

Chain	Residue	Details
A	HIS48

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1pj5

Chain	Residue	Details
A	TYR259
A	ALA552
A	HIS225

---

site_id	MCSA1
Number of Residues	3
Details	M-CSA 879

Chain	Residue	Details
A	HIS225	proton shuttle (general acid/base)
A	TYR259	proton shuttle (general acid/base)
A	ALA552	proton shuttle (general acid/base)

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