6ND3

wild-type choline TMA lyase in complex with betaine aldehyde

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0005829	cellular_component	cytosol
A	0016829	molecular_function	lyase activity
A	0016840	molecular_function	carbon-nitrogen lyase activity
A	0033265	molecular_function	choline binding
A	0042426	biological_process	choline catabolic process
A	0042803	molecular_function	protein homodimerization activity
B	0003824	molecular_function	catalytic activity
B	0005829	cellular_component	cytosol
B	0016829	molecular_function	lyase activity
B	0016840	molecular_function	carbon-nitrogen lyase activity
B	0033265	molecular_function	choline binding
B	0042426	biological_process	choline catabolic process
B	0042803	molecular_function	protein homodimerization activity
C	0003824	molecular_function	catalytic activity
C	0005829	cellular_component	cytosol
C	0016829	molecular_function	lyase activity
C	0016840	molecular_function	carbon-nitrogen lyase activity
C	0033265	molecular_function	choline binding
C	0042426	biological_process	choline catabolic process
C	0042803	molecular_function	protein homodimerization activity
D	0003824	molecular_function	catalytic activity
D	0005829	cellular_component	cytosol
D	0016829	molecular_function	lyase activity
D	0016840	molecular_function	carbon-nitrogen lyase activity
D	0033265	molecular_function	choline binding
D	0042426	biological_process	choline catabolic process
D	0042803	molecular_function	protein homodimerization activity
E	0003824	molecular_function	catalytic activity
E	0005829	cellular_component	cytosol
E	0016829	molecular_function	lyase activity
E	0016840	molecular_function	carbon-nitrogen lyase activity
E	0033265	molecular_function	choline binding
E	0042426	biological_process	choline catabolic process
E	0042803	molecular_function	protein homodimerization activity
F	0003824	molecular_function	catalytic activity
F	0005829	cellular_component	cytosol
F	0016829	molecular_function	lyase activity
F	0016840	molecular_function	carbon-nitrogen lyase activity
F	0033265	molecular_function	choline binding
F	0042426	biological_process	choline catabolic process
F	0042803	molecular_function	protein homodimerization activity
G	0003824	molecular_function	catalytic activity
G	0005829	cellular_component	cytosol
G	0016829	molecular_function	lyase activity
G	0016840	molecular_function	carbon-nitrogen lyase activity
G	0033265	molecular_function	choline binding
G	0042426	biological_process	choline catabolic process
G	0042803	molecular_function	protein homodimerization activity
H	0003824	molecular_function	catalytic activity
H	0005829	cellular_component	cytosol
H	0016829	molecular_function	lyase activity
H	0016840	molecular_function	carbon-nitrogen lyase activity
H	0033265	molecular_function	choline binding
H	0042426	biological_process	choline catabolic process
H	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue BTL A 901

Chain	Residue
A	TYR208
A	ASP216
A	PHE395
A	CYS489
A	GLU491
A	TYR506

---

site_id	AC2
Number of Residues	9
Details	binding site for Di-peptide BTL B 901 and CYS B 489

Chain	Residue
B	MET487
B	GLY488
B	VAL490
B	GLU491
B	TYR506
B	GLY821
B	TYR208
B	ASP216
B	PHE395

---

site_id	AC3
Number of Residues	11
Details	binding site for Di-peptide BTL C 901 and CYS C 489

Chain	Residue
C	TYR208
C	ASP216
C	PHE395
C	MET487
C	GLY488
C	VAL490
C	GLU491
C	TYR506
C	LEU698
C	GLY821
C	HOH1056

---

site_id	AC4
Number of Residues	10
Details	binding site for Di-peptide BTL D 901 and CYS D 489

Chain	Residue
D	TYR208
D	ASP216
D	PHE395
D	MET487
D	GLY488
D	VAL490
D	GLU491
D	TYR506
D	GLY821
D	HOH1048

---

site_id	AC5
Number of Residues	11
Details	binding site for Di-peptide BTL E 901 and CYS E 489

Chain	Residue
E	TYR208
E	ASP216
E	PHE395
E	MET487
E	GLY488
E	VAL490
E	GLU491
E	TYR506
E	LEU698
E	GLY821
E	HOH1056

---

site_id	AC6
Number of Residues	9
Details	binding site for Di-peptide BTL F 901 and CYS F 489

Chain	Residue
F	TYR208
F	ASP216
F	ASN397
F	MET487
F	GLY488
F	VAL490
F	GLU491
F	TYR506
F	GLY821

---

site_id	AC7
Number of Residues	9
Details	binding site for Di-peptide BTL G 901 and CYS G 489

Chain	Residue
G	TYR208
G	ASP216
G	PHE395
G	MET487
G	GLY488
G	VAL490
G	GLU491
G	TYR506
G	GLY821

---

site_id	AC8
Number of Residues	11
Details	binding site for Di-peptide BTL H 901 and CYS H 489

Chain	Residue
H	TYR208
H	ASP216
H	PHE395
H	MET487
H	GLY488
H	VAL490
H	GLU491
H	TYR506
H	LEU698
H	GLY821
H	HOH1014

---

Functional Information from PROSITE/UniProt

site_id	PS00850
Number of Residues	9
Details	GLY_RADICAL_1 Glycine radical domain signature. VvRVAGYSA

Chain	Residue	Details
A	VAL816-ALA824

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: Cysteine radical intermediate => ECO:0000255|HAMAP-Rule:MF_02058, ECO:0000305|PubMed:23151509, ECO:0000305|PubMed:24854437

Chain	Residue	Details
A	CYS489
B	CYS489
C	CYS489
D	CYS489
E	CYS489
F	CYS489
G	CYS489
H	CYS489

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	ACT_SITE: Proton acceptor => ECO:0000255|HAMAP-Rule:MF_02058, ECO:0000305|PubMed:24854437

Chain	Residue	Details
A	GLU491
B	GLU491
C	GLU491
D	GLU491
E	GLU491
F	GLU491
G	GLU491
H	GLU491

---

site_id	SWS_FT_FI3
Number of Residues	8
Details	MOD_RES: Glycine radical => ECO:0000255|HAMAP-Rule:MF_02058, ECO:0000305|PubMed:23151509, ECO:0000305|PubMed:24854437

Chain	Residue	Details
A	GLY821
B	GLY821
C	GLY821
D	GLY821
E	GLY821
F	GLY821
G	GLY821
H	GLY821

---