6CWJ

Crystal structures of cyanuric acid hydrolase from Moorella thermoacetica complexed with 1,3-Acetone Dicarboxylic Acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016787	molecular_function	hydrolase activity
A	0016812	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
A	0018753	molecular_function	cyanuric acid amidohydrolase activity
A	0019381	biological_process	atrazine catabolic process
A	0046872	molecular_function	metal ion binding
B	0016787	molecular_function	hydrolase activity
B	0016812	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
B	0018753	molecular_function	cyanuric acid amidohydrolase activity
B	0019381	biological_process	atrazine catabolic process
B	0046872	molecular_function	metal ion binding
C	0016787	molecular_function	hydrolase activity
C	0016812	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
C	0018753	molecular_function	cyanuric acid amidohydrolase activity
C	0019381	biological_process	atrazine catabolic process
C	0046872	molecular_function	metal ion binding
D	0016787	molecular_function	hydrolase activity
D	0016812	molecular_function	hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
D	0018753	molecular_function	cyanuric acid amidohydrolase activity
D	0019381	biological_process	atrazine catabolic process
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	binding site for residue MLI A 401

Chain	Residue
A	GLY45
A	GLY343
A	ARG52
A	SER83
A	GLY84
A	LYS161
A	SER231
A	ALA232
A	ARG323
A	SER342

---

site_id	AC2
Number of Residues	6
Details	binding site for residue CA A 402

Chain	Residue
A	GLU296
A	ALA345
A	GLN348
A	GLY349
A	PRO350
A	GLY353

---

site_id	AC3
Number of Residues	4
Details	binding site for residue ACT A 403

Chain	Residue
A	ASP313
A	SER314
D	TYR186
D	ASN317

---

site_id	AC4
Number of Residues	8
Details	binding site for residue ACT A 404

Chain	Residue
A	SER314
A	ASN317
A	HOH515
A	HOH582
D	ASP313
D	SER314
D	ASP315
D	ASN317

---

site_id	AC5
Number of Residues	12
Details	binding site for residue 6JN B 401

Chain	Residue
B	GLY45
B	ARG52
B	SER83
B	GLY84
B	LYS161
B	MET189
B	ARG193
B	SER231
B	ALA232
B	ARG323
B	SER342
B	GLY343

---

site_id	AC6
Number of Residues	6
Details	binding site for residue CA B 402

Chain	Residue
B	GLU296
B	ALA345
B	GLN348
B	GLY349
B	PRO350
B	GLY353

---

site_id	AC7
Number of Residues	5
Details	binding site for residue PDO B 403

Chain	Residue
B	ALA190
B	GLU296
B	ALA297
B	GLU346
B	ASP351

---

site_id	AC8
Number of Residues	12
Details	binding site for residue 6JN C 401

Chain	Residue
C	GLY45
C	ARG52
C	SER83
C	GLY84
C	LYS161
C	MET189
C	ARG193
C	SER231
C	ALA232
C	ARG323
C	SER342
C	GLY343

---

site_id	AC9
Number of Residues	6
Details	binding site for residue CA C 402

Chain	Residue
C	GLU296
C	ALA345
C	GLN348
C	GLY349
C	PRO350
C	GLY353

---

site_id	AD1
Number of Residues	5
Details	binding site for residue ACT D 401

Chain	Residue
B	ILE316
B	SER321
B	ALA324
D	GLU87
D	ILE316

---

site_id	AD2
Number of Residues	12
Details	binding site for residue 6JN D 402

Chain	Residue
D	GLY45
D	ARG52
D	SER83
D	GLY84
D	LYS161
D	MET189
D	ARG193
D	SER231
D	ALA232
D	ARG323
D	SER342
D	GLY343

---

site_id	AD3
Number of Residues	6
Details	binding site for residue CA D 403

Chain	Residue
D	GLU296
D	ALA345
D	GLN348
D	GLY349
D	PRO350
D	GLY353

---

site_id	AD4
Number of Residues	5
Details	binding site for residue ACT D 404

Chain	Residue
A	ASP312
D	ALA167
D	GLU168
D	HOH537
D	HOH551

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_01989

Chain	Residue	Details
A	LYS161
B	LYS161
C	LYS161
D	LYS161

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_01989

Chain	Residue	Details
A	SER231
B	SER231
C	SER231
D	SER231

---

site_id	SWS_FT_FI3
Number of Residues	48
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01989

Chain	Residue	Details
A	ARG52
A	GLY354
A	PRO355
A	VAL358
B	ARG52
B	SER83
B	ARG193
B	SER231
B	GLY301
B	ALA328
B	HIS347
A	SER83
B	PRO350
B	GLY353
B	GLY354
B	PRO355
B	VAL358
C	ARG52
C	SER83
C	ARG193
C	SER231
C	GLY301
A	ARG193
C	ALA328
C	HIS347
C	PRO350
C	GLY353
C	GLY354
C	PRO355
C	VAL358
D	ARG52
D	SER83
D	ARG193
A	SER231
D	SER231
D	GLY301
D	ALA328
D	HIS347
D	PRO350
D	GLY353
D	GLY354
D	PRO355
D	VAL358
A	GLY301
A	ALA328
A	HIS347
A	PRO350
A	GLY353

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Important for substrate specificity => ECO:0000255|HAMAP-Rule:MF_01989

Chain	Residue	Details
A	ALA324
B	ALA324
C	ALA324
D	ALA324

---